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  • 1.
    Allum, Felix
    et al.
    Univ Oxford, Chem Res Lab, Dept Chem, Oxford OX1 3TA, England.
    Burt, Michael
    Univ Oxford, Chem Res Lab, Dept Chem, Oxford OX1 3TA, England.
    Amini, Kasra
    Univ Oxford, Chem Res Lab, Dept Chem, Oxford OX1 3TA, England.
    Boll, Rebecca
    Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany.
    Kockert, Hansjochen
    Univ Oxford, Chem Res Lab, Dept Chem, Oxford OX1 3TA, England.
    Olshin, Pavel K.
    St Petersburg State Univ, 7-9 Univ Skaya Nab, St Petersburg 199034, Russia.
    Bari, Sadia
    Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany.
    Bomme, Cedric
    Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany.
    Brausse, Felix
    Max Born Inst, Max Born Str 2A, D-12489 Berlin, Germany.
    de Miranda, Barbara Cunha
    Sorbonne Univ, LCPMR, CNRS, F-75005 Paris, France.
    Duesterer, Stefan
    Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany.
    Erk, Benjamin
    Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany.
    Geleoc, Marie
    Univ Paris Saclay, LIDYL, CEA, CNRS,CEA Saclay, F-91191 Gif Sur Yvette, France.
    Geneaux, Romain
    Univ Paris Saclay, LIDYL, CEA, CNRS,CEA Saclay, F-91191 Gif Sur Yvette, France.
    Gentleman, Alexander S.
    Univ Oxford, Phys & Theoret Chem Lab, Dept Chem, Oxford OX1 3QZ, England.
    Goldsztejn, Gildas
    Max Born Inst, Max Born Str 2A, D-12489 Berlin, Germany.
    Guillemin, Renaud
    Sorbonne Univ, LCPMR, CNRS, F-75005 Paris, France.
    Holland, David M. P.
    Daresbury Lab, Warrington WA4 4AD, Cheshire, England.
    Ismail, Iyas
    Sorbonne Univ, LCPMR, CNRS, F-75005 Paris, France.
    Johnsson, Per
    Lund Univ, Dept Phys, S-22100 Lund, Sweden.
    Journel, Loic
    Sorbonne Univ, LCPMR, CNRS, F-75005 Paris, France.
    Kuepper, Jochen
    Deutsch Elektronen Synchrotron DESY, Ctr Free Electron Laser Sci, Notkestr 85, D-22607 Hamburg, Germany;Univ Hamburg, Ctr Ultrafast Imaging, Luruper Chaussee 149, D-22761 Hamburg, Germany;Univ Hamburg, Dept Phys, Luruper Chaussee 149, D-22761 Hamburg, Germany;Univ Hamburg, Dept Chem, Martin Luther King Pl 6, D-20146 Hamburg, Germany.
    Lahl, Jan
    Lund Univ, Dept Phys, S-22100 Lund, Sweden.
    Lee, Jason W. L.
    Univ Oxford, Chem Res Lab, Dept Chem, Oxford OX1 3TA, England.
    Maclot, Sylvain
    Lund Univ, Dept Phys, S-22100 Lund, Sweden.
    Mackenzie, Stuart R.
    Univ Oxford, Phys & Theoret Chem Lab, Dept Chem, Oxford OX1 3QZ, England.
    Manschwetus, Bastian
    Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany.
    Mereshchenko, Andrey S.
    St Petersburg State Univ, 7-9 Univ Skaya Nab, St Petersburg 199034, Russia.
    Mason, Robert
    Univ Oxford, Chem Res Lab, Dept Chem, Oxford OX1 3TA, England.
    Palaudoux, Jerome
    Sorbonne Univ, LCPMR, CNRS, F-75005 Paris, France.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Sorbonne Univ, LCPMR, CNRS, F-75005 Paris, France.
    Penent, Francis
    Sorbonne Univ, LCPMR, CNRS, F-75005 Paris, France.
    Rompotis, Dimitrios
    Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany;European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Rouzee, Arnaud
    Max Born Inst, Max Born Str 2A, D-12489 Berlin, Germany.
    Ruchon, Thierry
    Univ Paris Saclay, LIDYL, CEA, CNRS,CEA Saclay, F-91191 Gif Sur Yvette, France.
    Rudenko, Artem
    Kansas State Univ, Dept Phys, JR Macdonald Lab, Manhattan, KS 66506 USA.
    Savelyev, Evgeny
    Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany.
    Simon, Marc
    Sorbonne Univ, LCPMR, CNRS, F-75005 Paris, France.
    Schirmel, Nora
    Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany.
    Stapelfeldt, Henrik
    Aarhus Univ, Dept Chem, Langelandsgade 140, DK-8000 Aarhus C, Denmark.
    Techert, Simone
    Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany;Max Planck Inst Biophys Chem, D-37077 Gottingen, Germany;Univ Gottingen, Inst Xray Phys, D-37077 Gottingen, Germany.
    Travnikova, Oksana
    Sorbonne Univ, LCPMR, CNRS, F-75005 Paris, France.
    Trippel, Sebastian
    Deutsch Elektronen Synchrotron DESY, Ctr Free Electron Laser Sci, Notkestr 85, D-22607 Hamburg, Germany;Univ Hamburg, Ctr Ultrafast Imaging, Luruper Chaussee 149, D-22761 Hamburg, Germany.
    Underwood, Jonathan G.
    UCL, Dept Phys & Astron, London WC1E 6BT, England.
    Vallance, Claire
    Univ Oxford, Chem Res Lab, Dept Chem, Oxford OX1 3TA, England.
    Wiese, Joss
    Deutsch Elektronen Synchrotron DESY, Ctr Free Electron Laser Sci, Notkestr 85, D-22607 Hamburg, Germany;Univ Hamburg, Dept Chem, Martin Luther King Pl 6, D-20146 Hamburg, Germany.
    Ziaee, Farzaneh
    Kansas State Univ, Dept Phys, JR Macdonald Lab, Manhattan, KS 66506 USA.
    Brouard, Mark
    Univ Oxford, Chem Res Lab, Dept Chem, Oxford OX1 3TA, England.
    Marchenko, Tatiana
    Sorbonne Univ, LCPMR, CNRS, F-75005 Paris, France.
    Rolles, Daniel
    Kansas State Univ, Dept Phys, JR Macdonald Lab, Manhattan, KS 66506 USA.
    Coulomb explosion imaging of CH3I and CH2CII photodissociation dynamics2018In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 149, no 20, article id 204313Article in journal (Refereed)
    Abstract [en]

    The photodissociation dynamics of CH3I and CH2CII at 272 nm were investigated by time-resolved Coulomb explosion imaging, with an intense non-resonant 815nmprobe pulse. Fragment ion momenta over a widem/z range were recorded simultaneously by coupling a velocity map imaging spectrometer with a pixel imaging mass spectrometry camera. For both molecules, delay-dependent pump-probe features were assigned to ultraviolet-induced carbon-iodine bond cleavage followed by Coulomb explosion. Multi-mass imaging also allowed the sequential cleavage of both carbon-halogen bonds in CH2ClI to be investigated. Furthermore, delay-dependent relative fragment momenta of a pair of ions were directly determined using recoil-frame covariance analysis. These results are complementary to conventional velocity map imaging experiments and demonstrate the application of time-resolved Coulomb explosion imaging to photoinduced real-time molecular motion.

  • 2. Berrah, Nora
    et al.
    Fang, Li
    Murphy, Brendan
    Osipov, Timur
    Ueda, Kiyoshi
    Kukk, Edwin
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    van der Meulen, Peter
    Salen, Peter
    Schmidt, Henning T.
    Thomas, Richard D.
    Larsson, Mats
    Richter, Robert
    Prince, Kevin C.
    Bozek, John D.
    Bostedt, Christoph
    Wada, Shin-ichi
    Piancastelli, Maria N.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Tashiro, Motomichi
    Ehara, Masahiro
    Double-core-hole spectroscopy for chemical analysis with an intense X-ray femtosecond laser2011In: Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, E-ISSN 1091-6490, Vol. 108, no 41, p. 16912-16915Article in journal (Refereed)
    Abstract [en]

    Theory predicts that double-core-hole (DCH) spectroscopy can provide a new powerful means of differentiating between similar chemical systems with a sensitivity not hitherto possible. Although DCH ionization on a single site in molecules was recently measured with double-and single-photon absorption, double-core holes with single vacancies on two different sites, allowing unambiguous chemical analysis, have remained elusive. Here we report that direct observation of double-core holes with single vacancies on two different sites produced via sequential two-photon absorption, using short, intense X-ray pulses from the Linac Coherent Light Source free-electron laser and compare it with theoretical modeling. The observation of DCH states, which exhibit a unique signature, and agreement with theory proves the feasibility of the method. Our findings exploit the ultrashort pulse duration of the free-electron laser to eject two core electrons on a time scale comparable to that of Auger decay and demonstrate possible future X-ray control of physical inner-shell processes.

  • 3.
    Bolognesi, P.
    et al.
    CNR, Ist Struttura Mat, UOS Montelibretti, Area Ric Roma1, I-00185 Rome, Italy..
    O'Keeffe, P.
    CNR, Ist Struttura Mat, UOS Montelibretti, Area Ric Roma1, I-00185 Rome, Italy..
    Mazza, T.
    European XFEL GmbH, D-22761 Hamburg, Germany..
    Bozek, J.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Coffee, R.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Bostedt, C.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Schorb, S.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Carron, S.
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA..
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden..
    Guehr, M.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Sistrunk, E. F.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Grilj, J.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    McFarland, B. K.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Koch, M.
    SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA 94025 USA..
    Larsson, M.
    Univ Stockholm, Dept Phys, S-10691 Stockholm, Sweden..
    Salem, P.
    Univ Stockholm, Dept Phys, S-10691 Stockholm, Sweden..
    Berrah, N.
    Univ Connecticut, Dept Phys, Storrs, CT 06269 USA..
    Fang, L.
    Univ Connecticut, Dept Phys, Storrs, CT 06269 USA..
    Osipov, T.
    Univ Connecticut, Dept Phys, Storrs, CT 06269 USA..
    Murphy, B.
    Univ Connecticut, Dept Phys, Storrs, CT 06269 USA..
    Lucchese, R. R.
    Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA..
    Meyer, M.
    European XFEL GmbH, D-22761 Hamburg, Germany..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Ueda, K.
    Tohoku Univ, Dept Phys, Sendai, Miyagi 9808577, Japan..
    Mondal, S.
    Tohoku Univ, Dept Phys, Sendai, Miyagi 9808577, Japan..
    Miron, C.
    Synchrotron SOLEIL, F-91192 Gif Sur Yvette, France..
    Richter, R.
    Elettra Sincrotrone Trieste, I-34149 Basovizza, Italy..
    Prince, K. C.
    Elettra Sincrotrone Trieste, I-34149 Basovizza, Italy..
    Takahashi, O.
    Hiroshima Univ, Dept Chem, Hiroshima, Japan..
    Avaldi, L.
    CNR, Ist Struttura Mat, UOS Montelibretti, Area Ric Roma1, I-00185 Rome, Italy.;Elettra Sincrotrone Trieste, I-34149 Basovizza, Italy..
    A study of the dynamical energy flow in uracil2015In: Journal of Physics, Conference Series, ISSN 1742-6588, E-ISSN 1742-6596, Vol. 635, article id 112062Article in journal (Refereed)
    Abstract [en]

    The time resolved photoionization of C 1s in uracil following excitation of the neutral molecule by 260 nm pulses has been studied at LCLS.

  • 4. Bomme, C.
    et al.
    Guillemin, R.
    Marin, T.
    Journel, L.
    Marchenko, T.
    Trcera, N.
    Kushawaha, R. K.
    Piancastelli, M. N.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Simon, M.
    Stener, M.
    Decleva, P.
    Molecular-frame photoelectron angular distribution imaging studies of OCS S1s photoionization2012In: Journal of Physics B: Atomic, Molecular and Optical Physics, ISSN 0953-4075, E-ISSN 1361-6455, Vol. 45, no 19, p. 194005-Article in journal (Refereed)
  • 5. Bomme, C.
    et al.
    Guillemin, R.
    Sheinerman, S.
    Marin, T.
    Journel, L.
    Marchenko, T.
    Kushawaha, R. K.
    Trcera, N.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Simon, M.
    Post-collision interaction manifestation in molecular systems probed by photoelectron-molecular ion coincidences2013In: Journal of Physics B: Atomic, Molecular and Optical Physics, ISSN 0953-4075, E-ISSN 1361-6455, Vol. 46, no 21, p. 215101-Article in journal (Refereed)
    Abstract [en]

    S1s photoionization in carbonyl sulfide (OCS), followed by multiple Auger decay is investigated both experimentally and theoretically, by means of photoelectron-ion coincidences. A strong influence of post-collision interaction is observed in the energy shift and the distortion of the photoelectron spectra. The magnitude of this effect depends on the total charge of the ionic fragments, i.e., on the number of electrons emitted during the decay of the inner vacancy. A satisfactory agreement is found between experiment and theory, which allows us to estimate the lifetimes of the various two-hole states of the intermediate OCS2+ ion.

  • 6.
    Boudjemia, Nacer
    et al.
    Univ Oulu, Nano & Mol Syst Res Unit, POB 3000, Oulu 90014, Finland.
    Jankala, Kari
    Univ Oulu, Nano & Mol Syst Res Unit, POB 3000, Oulu 90014, Finland.
    Gejo, Tatsuo
    RIKEN, SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan;Univ Hyogo, Grad Sch Mat Sci, Kamigori, Hyogo 6781297, Japan.
    Nagaya, Kiyonobu
    RIKEN, SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan;Kyoto Univ, Dept Phys, Kyoto 6068502, Japan.
    Tamasaku, Kenji
    RIKEN, SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.
    Huttula, Marko
    Univ Oulu, Nano & Mol Syst Res Unit, POB 3000, Oulu 90014, Finland.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. RIKEN, SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan;Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Simon, Marc
    RIKEN, SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan;Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Oura, Masaki
    RIKEN, SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.
    Deep core photoionization of iodine in CH3I and CF3I molecules: how deep down does the chemical shift reach?2019In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 21, no 10, p. 5448-5454Article in journal (Refereed)
    Abstract [en]

    Hard X-ray electron spectroscopic study of iodine 1s and 2s photoionization of iodomethane (CH3I) and trifluoroiodomethane (CF3I) molecules is presented. The experiment was carried out at the SPring-8 synchrotron radiation facility in Japan. The results are analyzed with the aid of relativistic molecular and atomic calculations. It is shown that charge redistribution within the molecule is experimentally observable even for very deep levels and is a function of the number of electron vacancies. We also show that the analysis of Auger spectra subsequent to hard X-ray photoionization can be used to provide insight into charge distribution in molecules and highlight the necessity of quantum electrodynamics corrections in the prediction of core shell binding energies in molecules that contain heavy atoms.

  • 7.
    Bowen, K. P.
    et al.
    Univ Nevada, Dept Chem & Biochem, Las Vegas, NV 89154 USA..
    Hemmers, O.
    Univ Nevada, Dept Chem & Biochem, Las Vegas, NV 89154 USA..
    Guillemin, R.
    Univ Paris 06, CNRS, Lab Chim Phys Mat & Rayonnement, UMR 7614, Paris 05, France..
    Stolte, W. C.
    Natl Secur Technol LLC NSTec, Livermore Operat, Livermore, CA USA..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Lindle, D. W.
    Univ Nevada, Dept Chem & Biochem, Las Vegas, NV 89154 USA..
    Nondipole Effects in Chiral Molecules Measured with Linearly Polarized Light2015In: Journal of Physics, Conference Series, ISSN 1742-6588, E-ISSN 1742-6596, Vol. 635, article id 112053Article in journal (Refereed)
    Abstract [en]

    We present the first-ever measurement of nondipole chiral angular distribution parameters for C 1s photoemission from each enantiomer of camphor in the photon energy range 296-343eV using linearly polarized light. The angular distribution parameters are determined to be enantiomer-specific, suggesting a new form of linear dichroism.

  • 8. Bowen, K. P.
    et al.
    Stolte, W. C.
    Lago, A. F.
    Daacutevalos, J. Z.
    Piancastelli, M. N.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Lindle, D. W.
    Partial-ion-yield studies of SOCl 2 following x-ray absorption around the S and Cl K edges2012In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 137, no 20, p. 204313-Article in journal (Refereed)
    Abstract [en]

    We present a series of photoabsorption and partial-ion-yield experiments on thionyl chloride, SOCl2, at both the sulfur and chlorine K edges. The photoabsorption results exhibit better resolution than previously published data, leading to alternate spectral assignments for some of the features, particularly in the Rydberg-series region. Based on measured fragmentation patterns, we suggest the LUMO, of a' character, is delocalized over the entire molecular skeleton. Unusual behavior of the S2+ fragment hints at a relatively localized bond rupture (the S-O bond below the S K edge and the S-Cl bonds below the Cl K edge) following excitation to some of the higher lying intermediate states. 

  • 9.
    Brasse, Felix
    et al.
    Max Born Inst Nichtlineare Opt & Kurzzeitspektros, D-12489 Berlin, Germany.
    Goldsztejn, Gildas
    Max Born Inst Nichtlineare Opt & Kurzzeitspektros, D-12489 Berlin, Germany.
    Amini, Kasra
    Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England.
    Boll, Rebecca
    DESY, D-22607 Hamburg, Germany.
    Bari, Sadia
    DESY, D-22607 Hamburg, Germany.
    Bomme, Cedric
    DESY, D-22607 Hamburg, Germany.
    Brouard, Mark
    Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England.
    Burt, Michael
    Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England.
    de Miranda, Barbara Cunha
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Duesterer, Stefan
    DESY, D-22607 Hamburg, Germany.
    Erk, Benjamin
    DESY, D-22607 Hamburg, Germany.
    Geleoc, Marie
    Univ Paris Saclay, CEA Saclay, CNRS, LIDYL,CEA, F-91191 Gif Sur Yvette, France.
    Geneaux, Romain
    Univ Paris Saclay, CEA Saclay, CNRS, LIDYL,CEA, F-91191 Gif Sur Yvette, France.
    Gentleman, Alexander S.
    Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England.
    Guillemin, Renaud
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Ismail, Iyas
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Johnsson, Per
    Lund Univ, Dept Phys, S-22100 Lund, Sweden.
    Journel, Loic
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Kierspel, Thomas
    DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany;Univ Hamburg, Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.
    Kockert, Hansjochen
    Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England.
    Kuepper, Jochen
    DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany;Univ Hamburg, Ctr Ultrafast Imaging, D-22761 Hamburg, Germany;Univ Hamburg, Dept Phys, D-22761 Hamburg, Germany.
    Lablanquie, Pascal
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Lahl, Jan
    Lund Univ, Dept Phys, S-22100 Lund, Sweden.
    Lee, Jason W. L.
    Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England.
    Mackenzie, Stuart R.
    Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England.
    Maclot, Sylvain
    Lund Univ, Dept Phys, S-22100 Lund, Sweden.
    Manschwetus, Bastian
    DESY, D-22607 Hamburg, Germany.
    Mereshchenko, Andrey S.
    St Petersburg State Univ, 7-9 Univ Skaya Nab, St Petersburg 199034, Russia.
    Mullins, Terence
    DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.
    Olshin, Pavel K.
    St Petersburg State Univ, 7-9 Univ Skaya Nab, St Petersburg 199034, Russia.
    Palaudoux, Jerome
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Patchkovskii, Serguei
    Max Born Inst Nichtlineare Opt & Kurzzeitspektros, D-12489 Berlin, Germany.
    Penent, Francis
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy. Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Rompotis, Dimitrios
    DESY, D-22607 Hamburg, Germany.
    Ruchon, Thierry
    Univ Paris Saclay, CEA Saclay, CNRS, LIDYL,CEA, F-91191 Gif Sur Yvette, France.
    Rudenko, Artem
    Kansas State Univ, Dept Phys, JR Macdonald Lab, Cardwell Hall, Manhattan, KS 66506 USA.
    Savelyev, Evgeny
    DESY, D-22607 Hamburg, Germany.
    Schirmel, Nora
    DESY, D-22607 Hamburg, Germany.
    Techert, Simone
    DESY, D-22607 Hamburg, Germany;Max Planck Inst Biophys Chem, D-33077 Gottingen, Germany;Gottingen Univ, Inst Xray Phys, D-33077 Gottingen, Germany.
    Travnikova, Oksana
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Trippel, Sebastian
    DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany;Univ Hamburg, Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.
    Underwood, Jonathan G.
    UCL, Dept Phys & Astron, London WC1E 6BT, England.
    Vallance, Claire
    Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England.
    Wiese, Joss
    DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.
    Simon, Marc
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Holland, David M. P.
    Daresbury Lab, Warrington WA4 4AD, Cheshire, England.
    Marchenko, Tatiana
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Rouzee, Arnaud
    Max Born Inst Nichtlineare Opt & Kurzzeitspektros, D-12489 Berlin, Germany.
    Rolles, Daniel
    Kansas State Univ, Dept Phys, JR Macdonald Lab, Cardwell Hall, Manhattan, KS 66506 USA.
    Time-resolved inner-shell photoelectron spectroscopy: From a bound molecule to an isolated atom2018In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 97, no 4, article id 043429Article in journal (Refereed)
    Abstract [en]

    Due to its element and site specificity, inner-shell photoelectron spectroscopy is a widely used technique to probe the chemical structure of matter. Here, we show that time-resolved inner-shell photoelectron spectroscopy can be employed to observe ultrafast chemical reactions and the electronic response to the nuclear motion with high sensitivity. The ultraviolet dissociation of iodomethane (CH3I) is investigated by ionization above the iodine 4d edge, using time-resolved inner-shell photoelectron and photoion spectroscopy. The dynamics observed in the photoelectron spectra appear earlier and are faster than those seen in the iodine fragments. The experimental results are interpreted using crystal-field and spin-orbit configuration interaction calculations, and demonstrate that time-resolved inner-shell photoelectron spectroscopy is a powerful tool to directly track ultrafast structural and electronic transformations in gas-phase molecules.

  • 10.
    Burt, Michael
    et al.
    Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England..
    Boll, Rebecca
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Lee, Jason W. L.
    Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England..
    Amini, Kasra
    Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England..
    Kockert, Hansjochen
    Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England..
    Vallance, Claire
    Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England..
    Gentleman, Alexander S.
    Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England..
    Mackenzie, Stuart R.
    Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England..
    Bari, Sadia
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Bomme, Cedric
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Duesterer, Stefan
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Erk, Benjamin
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Manschwetus, Bastian
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Mueller, Erland
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Rompotis, Dimitrios
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Savelyev, Evgeny
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Schirmel, Nora
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Techert, Simone
    DESY, Notkestr 85, D-22607 Hamburg, Germany.;Max Planck Inst Biophys Chem, D-37077 Gottingen, Germany.;Univ Gottingen, Inst Xray Phys, D-37077 Gottingen, Germany..
    Treusch, Rolf
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Kuepper, Jochen
    DESY, Ctr Free Elect Laser Sci, Notkestr 85, D-22607 Hamburg, Germany.;Univ Hamburg, Ctr Ultrafast Imaging, Luruper Chaussee 149, D-22761 Hamburg, Germany.;Univ Hamburg, Dept Phys, Luruper Chaussee 149, D-22761 Hamburg, Germany..
    Trippel, Sebastian
    DESY, Ctr Free Elect Laser Sci, Notkestr 85, D-22607 Hamburg, Germany.;Univ Hamburg, Ctr Ultrafast Imaging, Luruper Chaussee 149, D-22761 Hamburg, Germany..
    Wiese, Joss
    DESY, Ctr Free Elect Laser Sci, Notkestr 85, D-22607 Hamburg, Germany..
    Stapelfeldt, Henrik
    Aarhus Univ, Dept Chem, Langelandsgade 140, DK-8000 Aarhus C, Denmark..
    de Miranda, Barbara Cunha
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Guillemin, Renaud
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Ismail, Iyas
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Journel, Loic
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Marchenko, Tatiana
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Palaudoux, Jerome
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Penent, Francis
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France.
    Simon, Marc
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Travnikova, Oksana
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Brausse, Felix
    Max Born Inst, D-12489 Berlin, Germany..
    Goldsztejn, Gildas
    Max Born Inst, D-12489 Berlin, Germany..
    Rouzee, Arnaud
    Max Born Inst, D-12489 Berlin, Germany..
    Geleoc, Marie
    Univ Paris Saclay, CEA Saclay, CNRS, CEA,LIDYL, F-91191 Gif Sur Yvette, France..
    Geneaux, Romain
    Univ Paris Saclay, CEA Saclay, CNRS, CEA,LIDYL, F-91191 Gif Sur Yvette, France..
    Ruchon, Thierry
    Univ Paris Saclay, CEA Saclay, CNRS, CEA,LIDYL, F-91191 Gif Sur Yvette, France..
    Underwood, Jonathan
    UCL, Dept Phys & Astron, London WC1E 6BT, England..
    Holland, David M. P.
    Daresbury Lab, Warrington WA4 4AD, Cheshire, England..
    Mereshchenko, Andrey S.
    St Petersburg State Univ, 7-9 Univ Skaya Nab, St Petersburg 199034, Russia..
    Olshin, Pavel K.
    St Petersburg State Univ, 7-9 Univ Skaya Nab, St Petersburg 199034, Russia..
    Johnsson, Per
    Lund Univ, Dept Phys, S-22100 Lund, Sweden..
    Maclot, Sylvain
    Lund Univ, Dept Phys, S-22100 Lund, Sweden..
    Lahl, Jan
    Lund Univ, Dept Phys, S-22100 Lund, Sweden..
    Rudenko, Artem
    Kansas State Univ, Dept Phys, JR Macdonald Lab, Manhattan, KS 66506 USA..
    Ziaee, Farzaneh
    Kansas State Univ, Dept Phys, JR Macdonald Lab, Manhattan, KS 66506 USA..
    Brouard, Mark
    Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England..
    Rolles, Daniel
    Kansas State Univ, Dept Phys, JR Macdonald Lab, Manhattan, KS 66506 USA..
    Coulomb-explosion imaging of concurrent CH2BrI photodissociation dynamics2017In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 96, no 4, article id 043415Article in journal (Refereed)
    Abstract [en]

    The dynamics following laser-induced molecular photodissociation of gas-phase CH2BrI at 271.6 nm were investigated by time-resolved Coulomb-explosion imaging using intense near-IR femtosecond laser pulses. The observed delay-dependent photofragment momenta reveal that CH2BrI undergoes C-I cleavage, depositing 65.6% of the available energy into internal product states, and that absorption of a second UV photon breaks the C-Br bond of C(H)2Br. Simulations confirm that this mechanism is consistent with previous data recorded at 248 nm, demonstrating the sensitivity of Coulomb-explosion imaging as a real-time probe of chemical dynamics.

  • 11.
    Capron, Nathalie
    et al.
    Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Casier, Bastien
    Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Sisourat, Nicolas
    Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Simon, Marc
    Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Carniato, Stephane
    Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Correction: Probing keto–enol tautomerism using photoelectron spectroscopy2018In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 20, no 1, p. 695-695Article in journal (Refereed)
  • 12.
    Capron, Nathalie
    et al.
    Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Casier, Bastien
    Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Sisourat, Nicolas
    Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Simon, Marc
    Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Carniato, Stephane
    Univ Paris 06, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement, Paris, France; CNRS, Lab Chim Phys Mat & Rayonnement, Paris, France.
    Probing keto-enol tautomerism using photoelectron spectroscopy2015In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 17, no 30, p. 19991-19996Article in journal (Refereed)
    Abstract [en]

    We theoretically investigate the mechanism of tautomerism in the gas-phase acetylacetone molecule. The minimum energy path between the enolone and diketo forms has been computed using the Nudged-Elastic Band (NEB) method within the density-functional theory (DFT) using the projector augmented-wave method and generalized gradient approximation in Perdew-Wang (PW91) parametrization. The lowest transition state as well as several intermediate geometries between the two stable tautomers have been identified. The outer-valence ionization spectra for all determined geometries have been computed using the third-order non-Dyson algebraic diagrammatic construction technique. Furthermore, the oxygen core-shell ionization spectra for these geometries have been obtained using DFT and the Becke three-parameter Lee-Yang-Parr (B3LYP) functional. It is shown that all spectra depend strongly on the geometries demonstrating the possibility of following the proton-transfer dynamics using photoelectron spectroscopy in pump-probe experiments.

  • 13. Carniato, S.
    et al.
    Journel, L.
    Guillemin, R.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Stolte, W. C.
    Lindle, D. W.
    Simon, M.
    A new method to derive electronegativity from resonant inelastic x-ray scattering2012In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 137, no 14, p. 144303-Article in journal (Refereed)
    Abstract [en]

    Electronegativity is a well-known property of atoms and substituent groups. Because there is no direct way to measure it, establishing a useful scale for electronegativity often entails correlating it to another chemical parameter; a wide variety of methods have been proposed over the past 80 years to do just that. This work reports a new approach that connects electronegativity to a spectroscopic parameter derived from resonant inelastic x-ray scattering. The new method is demonstrated using a series of chlorine-containing compounds, focusing on the Cl 2p(-1)LUMO(1) electronic states reached after Cl 1s -> LUMO core excitation and subsequent KL radiative decay. Based on an electron-density analysis of the LUMOs, the relative weights of the Cl 2p(z) atomic orbital contributing to the Cl 2p(3/2) molecular spin-orbit components are shown to yield a linear electronegativity scale consistent with previous approaches.

  • 14.
    Carniato, S.
    et al.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Selles, P.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Lablanquie, P.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Palaudoux, J.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Andric, L.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France.;Univ Paris Est, 5 Blvd Descartes, F-77454 Marne La Vallee 2, France..
    Nakano, M.
    Inst Mat Struct Sci, Photon Factory, Tsukuba, Ibaraki 3050801, Japan.;Tokyo Inst Technol, Dept Chem, O Okayama, Tokyo 1528551, Japan..
    Hikosaka, Y.
    Toyama Univ, Grad Sch Med & Pharmaceut Sci, Toyama 9300194, Japan..
    Ito, K.
    Inst Mat Struct Sci, Photon Factory, Tsukuba, Ibaraki 3050801, Japan..
    Marchenko, T.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Travnikova, O.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Goldsztejn, G.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Journel, L.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Guillemin, R.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Ceolin, D.
    Synchrotron SOLEIL, Orme Merisiers, Boite Postale 48, F-91192 Gif Sur Yvette, France..
    Simon, M.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France.;Synchrotron SOLEIL, Orme Merisiers, Boite Postale 48, F-91192 Gif Sur Yvette, France..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France.
    Penent, F.
    Univ Paris 06, Univ Paris 04, CNRS, LCP MR UMR 7614, 11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Photon-energy dependence of single-photon simultaneous core ionization and core excitation in CO22016In: PHYSICAL REVIEW A, ISSN 2469-9926, Vol. 94, no 1, article id 013416Article in journal (Refereed)
    Abstract [en]

    We have studied the K-2V process corresponding to simultaneous K-shell ionization and K-shell excitation in the CO2 molecule. We define these K-2V states as super shake-up, at variance with the "conventional" K(-1)v(-1)V shake-up states. While the nature and evolution with photon energy of the conventional shake-up satellites has been the object of many studies, no such data on a large photon-energy range were previously reported on super shake-up. The CO2 molecule is a textbook example because it exhibits two well-isolated K-2V resonances (with V being 2 pi(u)* and 5 delta g*) with different symmetries resulting from shake-up processes of different origin populated in comparable proportions. The variation of the excitation cross section of these two resonances with photon energy is reported, using two different experimental approaches, which sheds light on the excitation mechanisms. Furthermore, double-core-hole spectroscopy is shown to be able to integrate and even expand information provided by conventional single-core-hole X-ray Photoelectron Spectroscopy (XPS) and Near-Edge X-ray Absorption Fine Structure (NEXAFS) techniques, revealing, for instance, g-g dipole forbidden transitions which are only excited in NEXAFS spectra through vibronic coupling.

  • 15. Casaletto, M. P.
    et al.
    Carbone, M.
    Piancastelli, Maria Novella
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics V.
    Horn, K.
    Weiss, K.
    Zanoni, R.
    A High Resolution Photoemission Study of Phenol Adsorption on Si(100)2´12005In: Surf. Sci., Vol. 582, p. 42-Article in journal (Refereed)
  • 16. Ceolin, D.
    et al.
    Marchenko, T.
    Guillemin, R.
    Journel, L.
    Kushawaha, R. K.
    Carniato, S.
    Huttula, S. -M
    Rueff, J. P.
    Armen, G. B.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Simon, M.
    Auger resonant-Raman study at the Ar K edge as probe of electronic-state-lifetime interferences2015In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 91, no 2, article id 022502Article in journal (Refereed)
    Abstract [en]

    The resonant-Auger decay in argon following Ar 1s - np excitations was studied under resonant-Raman conditions, i.e., with a total instrumental bandwidth much narrower than the natural linewidth of the absorption features. These state-of-the-art experiments are combined with a radiationless resonant-Raman scattering theory. The main results include identification of the energy position of some high-lying Rydberg states previously masked by insufficient resolution and clear evidence of electronic-state-lifetime interference phenomena.

  • 17. Ceolin, D.
    et al.
    Travnikova, O.
    Bao, Z.
    Guimaraes, F. F.
    da Costa, M. S.
    Velkov, Y.
    Sisourat, N.
    Carniato, S.
    Simon, M.
    Piancastelli, M. N.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Site-selective resonant Auger spectroscopy of iso-dichloroethylene at the carbon K-edge2012In: Journal of Electron Spectroscopy and Related Phenomena, ISSN 0368-2048, E-ISSN 1873-2526, Vol. 185, no 8-9, p. 252-258Article in journal (Refereed)
  • 18.
    Ceolin, Denis
    et al.
    Synchrotron SOLEIL, F-91191 Gif Sur Yvette, France.
    Liu, Ji-Cai
    North China Elect Power Univ, Dept Math & Phys, Beijing 102206, Peoples R China.
    da Cruz, Vinicius Vaz
    Royal Inst Technol, Theoret Chem & Biol, S-10691 Stockholm, Sweden.
    Ågren, Hans
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Royal Inst Technol, Theoret Chem & Biol, S-10691 Stockholm, Sweden.
    Journel, Loic
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Guillemin, Renaud
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Marchenko, Tatiana
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Kushawaha, Rajesh K.
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Püttner, Ralph
    Free Univ Berlin, Fachbereich Phys, D-14195 Berlin, Germany.
    Simon, Marc
    Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France.
    Gel'mukhanov, Faris
    Synchrotron SOLEIL, F-91191 Gif Sur Yvette, France;Royal Inst Technol, Theoret Chem & Biol, S-10691 Stockholm, Sweden;Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia.
    Recoil-induced ultrafast molecular rotation probed by dynamical rotational Doppler effect2019In: Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, E-ISSN 1091-6490, Vol. 116, no 11, p. 4877-4882Article in journal (Refereed)
    Abstract [en]

    Observing and controlling molecular motion and in particular rotation are fundamental topics in physics and chemistry. To initiate ultrafast rotation, one needs a way to transfer a large angular momentum to the molecule. As a showcase, this was performed by hard X-ray C1s ionization of carbon monoxide accompanied by spinning up the molecule via the recoil "kick" of the emitted fast photoelectron. To visualize this molecular motion, we use the dynamical rotational Doppler effect and an X-ray "pump-probe" device offered by nature itself: the recoil-induced ultrafast rotation is probed by subsequent Auger electron emission. The time information in our experiment originates from the natural delay between the C1s photoionization initiating the rotation and the ejection of the Auger electron. From a more general point of view, time-resolved measurements can be performed in two ways: either to vary the "delay" time as in conventional time-resolved pump-probe spectroscopy and use the dynamics given by the system, or to keep constant delay time and manipulate the dynamics. Since in our experiment we cannot change the delay time given by the core-hole lifetime tau, we use the second option and control the rotational speed by changing the kinetic energy of the photoelectron. The recoil-induced rotational dynamics controlled in such a way is observed as a photon energy-dependent asymmetry of the Auger line shape, in full agreement with theory. This asymmetry is explained by a significant change of the molecular orientation during the core-hole lifetime, which is comparable with the rotational period.

  • 19.
    Ceolin, Denis
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Travnikova, Oksana
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Bao, Zhuo
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Guimaraes, F. F.
    da Costa, M. S.
    Velkov, Y.
    Sisourat, N.
    Carniato, S.
    Simon, M.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Site-selective resonant Auger spectroscopy of iso-dichloroethylene at the carbon K-edge2012In: Journal of Electron Spectroscopy and Related Phenomena, ISSN 0368-2048, E-ISSN 1873-2526, Vol. 185, no 8-9, p. 252-258Article in journal (Refereed)
    Abstract [en]

    This study focuses on the two C1s-to-LUMO (lowest unoccupied molecular orbital) excitations of the iso-dichloroethylene (H2C=CCl2) and the subsequent Auger decay. We investigate the effect of the two different carbon core excitations on the population of the cation produced after electronic relaxation. The resonant Auger spectra are interpreted by comparison to the valence shells photoionization spectrum and with the help of theoretical calculations. Several consequences of the core-hole localization on the electronic decay are observed. In particular, the resonant excitation of the C1s(CH2) to the LUMO leads to a large intensity increase in the region of the first satellite state, whereas no dramatic changes are observed for the C1s(CCl2) excitation.

  • 20.
    Decleva, Piero
    et al.
    Univ Trieste, Dipartimento Sci Chim & Farmaceut, I-34127 Trieste, Italy.;CNR, Ist Officina Mat, I-34149 Trieste, Italy..
    Toffoli, Daniele
    Univ Trieste, Dipartimento Sci Chim & Farmaceut, I-34127 Trieste, Italy.;CNR, Ist Officina Mat, I-34149 Trieste, Italy..
    Kushawaha, Rajesh Kumar
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    MacDonald, Michael
    Canadian Light Source Inc, 44 Innovat Blvd, Saskatoon, SK S7N 2V3, Canada..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Simon, Marc
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Zuin, Lucia
    Canadian Light Source Inc, 44 Innovat Blvd, Saskatoon, SK S7N 2V3, Canada..
    Interference effects in photoelectron asymmetry parameter (beta) trends of C 2s(-1) states of ethyne, ethene and ethane2016In: Journal of Physics B: Atomic, Molecular and Optical Physics, ISSN 0953-4075, E-ISSN 1361-6455, Vol. 49, no 23, article id 235102Article in journal (Refereed)
    Abstract [en]

    Photoelectron asymmetry parameters (beta) of the gerade and ungerade C 2s(-1) derived states of ethyne, ethene and ethane as a function of photon energy have been calculated and experimentally measured, to extend the search of interference effects on angular distributions to polyatomic molecules. The calculations cover the electron energy range from 0 to 1100 eV while the experimental measurements cover the electron energy range from 30 to 220 eV. Clear oscillations are interpreted in terms of interference of the photoelectron wave emitted from the two possible C 2s centres, or equivalently from the gerade and ungerade states associated with them. This is a microscopic analog of Young's double-slit experiment. The effect is however quite small and requires very high experimental accuracy to be detected. It is best evidenced in the behaviour of beta difference between the two channels. The connection between beta trends and structural parameters shows the expected inverse correlation between oscillation period and distance between the carbon atoms, but do not simply parallel the analogous behaviour found in cross sections.

  • 21. Fang, L.
    et al.
    Osipov, T.
    Murphy, B.
    Juranic, P.
    Berrah, N.
    Kukk, E.
    Ueda, K.
    Feifel, R.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    van der Meulen, P.
    Salen, P.
    Schmidt, H.
    Thomas, R.
    Larsson, M.
    Richter, R.
    Prince, K. C.
    Bozek, J. D.
    Bostedt, C.
    Wada, S.
    Piancastelli, M.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Tashiro, M.
    Ehara, M.
    Tarantelli, F.
    Multiple Ionization and Double Core-hole Production in Molecules using the LCLS X-ray FEL2012In: Journal of Physics, Conference Series, ISSN 1742-6588, E-ISSN 1742-6596, Vol. 388, no 3, p. 032028-Article in journal (Refereed)
    Abstract [en]

    We used the world's first hard x-ray FEL to investigate the response of molecular systems to the ultra-intense, femtosecond x-ray radiation. We report sequential multiphoton ionization, frustrated absorption and double core hole production mechanisms.

  • 22.
    Feifel, R.
    et al.
    Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden..
    Eland, J. H. D.
    Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden.;Univ Oxford, Phys & Theoret Chem Lab, Dept Chem, South Parks Rd, Oxford OX1 3QZ, England..
    Carniato, S.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France..
    Selles, P.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France..
    Puettner, R.
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany..
    Koulentianos, D.
    Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden.;UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France..
    Marchenko, T.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France.;Synchrotron SOLEIL, Orme Merisiers, BP 48, F-91192 Gif sur Yvette, France..
    Journel, L.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France.;Synchrotron SOLEIL, Orme Merisiers, BP 48, F-91192 Gif sur Yvette, France..
    Guillemin, R.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France.;Synchrotron SOLEIL, Orme Merisiers, BP 48, F-91192 Gif sur Yvette, France..
    Goldsztejn, G.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France.;Max Born Inst, Max Born Str 2A, D-12489 Berlin, Germany..
    Travnikova, O.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France.;Synchrotron SOLEIL, Orme Merisiers, BP 48, F-91192 Gif sur Yvette, France..
    Ismail, I.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France..
    de Miranda, B. Cunha
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France..
    Lago, A. F.
    Univ Fed Abc, Ctr Ciencias Nat & Humanas, Ave Estados,5001, BR-09210580 Santo Andre, SP, Brazil..
    Ceolin, D.
    Synchrotron SOLEIL, Orme Merisiers, BP 48, F-91192 Gif sur Yvette, France..
    Lablanquie, P.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France..
    Penent, F.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France..
    Simon, M.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnment, F-75005 Paris 05, France.;Synchrotron SOLEIL, Orme Merisiers, BP 48, F-91192 Gif sur Yvette, France..
    Cationic double K-hole pre-edge states of CS2 and SF62017In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 7, article id 13317Article in journal (Refereed)
    Abstract [en]

    Recent advances in X-ray instrumentation have made it possible to measure the spectra of an essentially unexplored class of electronic states associated with double inner-shell vacancies. Using the technique of single electron spectroscopy, spectra of states in CS2 and SF6 with a double hole in the K-shell and one electron exited to a normally unoccupied orbital have been obtained. The spectra are interpreted with the aid of a high-level theoretical model giving excellent agreement with the experiment. The results shed new light on the important distinction between direct and conjugate shake-up in a molecular context. In particular, systematic similarities and differences between pre-edge states near single core holes investigated in X-ray absorption spectra and the corresponding states near double core holes studied here are brought out.

  • 23.
    Feifel, Raimund
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
    Gel´mukhanov, F
    Baev, A
    Ågren, H
    Piancastelli, Maria Novella
    Bässler, M
    Miron, C
    Sorensen, Stacey L
    Naves de Brito, Arnaldo
    Björneholm, Olle
    Karlsson, Leif
    Svensson, Svante
    Interference Quenching of v2002In: Physical Review Letters, Vol. 89, no 10, p. 103002-1Article in journal (Refereed)
  • 24.
    Feifel, Raimund
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics V.
    Karlsson, Leif
    Department of Physics and Materials Science, Physics V.
    Piancastelli, Maria Novella
    Department of Physics and Materials Science, Physics V.
    Fink, R F
    Bässler, M
    Björneholm, Olle
    Department of Physics and Materials Science, Physics V.
    Wiesner, Karoline
    Miron, C
    Wang, H
    Giertz, Annica
    Sorensen, Stacey L
    Naves de Brito, Arnaldo
    Svensson, Svante
    Department of Physics and Materials Science, Physics V.
    "Hidden" vibrations in CO: Reinvestigation of resonant Auger decay for the C 1s ->pi* excitation2002In: Physical Review A, Vol. 65, no 5, p. 052701-Article in journal (Refereed)
  • 25.
    Feifel, Raimund
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics and Materials Science, Physics V. Physics II.
    Kimberg, V.
    Baev, A.
    Gel´mukhanov, Faris
    Ågren, Hans
    Miron, C.
    Öhrwall, Gunnar
    Department of Physics. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics and Materials Science, Physics V. Physics II.
    Piancastelli, Maria Novella
    Department of Physics. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics and Materials Science, Physics V. Physics II.
    Sorensen, Stacey
    Karlsson, Leif
    Department of Physics. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics and Materials Science, Physics V. Physics II.
    Svensson, Svante
    Department of Physics. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics and Materials Science, Physics V. Physics II.
    Profile of Resonant Photoelectron Spectra versus the Spectral Function Width and Photon Frequency Detuning2004In: Physical Review, Vol. 70, no 3, p. 032708-Article in journal (Refereed)
  • 26.
    Fink, Reinhold
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
    Eschner, Annika
    Magnuson, Martin
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
    Björneholm, Olle
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
    Hjelte, Ingela
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
    Miron, Catalin
    Bässler, Margit
    Svensson, Svante
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
    Sorensen, Stacey
    Specific production of very long-lived core-excited sulfur atoms by 2p(-1)sigma* excitation of the OCS molecule followed by ultrafast dissociation2006In: Journal of Physics B: Atomic, Molecular and Optical Physics, ISSN 0953-4075, E-ISSN 1361-6455, Vol. 39, no 12, p. L269-L275Article in journal (Refereed)
    Abstract [en]

    A core-excited sulfur state with a lifetime almost one order of magnitude longer than in molecular 2p core-hole states is selectively produced by ultrafast dissociation of S 2p -> sigma* excited OCS. Clear evidence for this is provided by strong atomic peaks (20% of the total intensity) in x-ray fluorescence but very weak ones (2%) in the corresponding resonant Auger spectrum. Corroborating the assignment of the spectra, ab initio calculations explain the enhanced lifetime: the Auger decay of the produced D-3(3) (2p(5)3p(5)) sulfur state is strongly decreased as it contradicts a newly derived propensity rule of the L2,3MM Auger decay.

  • 27. Frasinski, L. J.
    et al.
    Zhaunerchyk, Vitali
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Mucke, Melanie
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Squibb, Richard J.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Siano, M.
    Eland, John H. D.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Linusson, P.
    v. d. Meulen, P.
    Salen, P.
    Thomas, R. D.
    Larsson, M.
    Foucar, L.
    Ullrich, J.
    Motomura, K.
    Mondal, S.
    Ueda, K.
    Osipov, T.
    Fang, L.
    Murphy, B. F.
    Berrah, N.
    Bostedt, C.
    Bozek, J. D.
    Schorb, S.
    Messerschmidt, M.
    Glownia, J. M.
    Cryan, J. P.
    Coffee, R. N.
    Takahashi, O.
    Wada, S.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Richter, R.
    Prince, K. C.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Dynamics of Hollow Atom Formation in Intense X-Ray Pulses Probed by Partial Covariance Mapping2013In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 111, no 7, article id 073002Article in journal (Refereed)
    Abstract [en]

    When exposed to ultraintense x-radiation sources such as free electron lasers (FELs) the innermost electronic shell can efficiently be emptied, creating a transient hollow atom or molecule. Understanding the femtosecond dynamics of such systems is fundamental to achieving atomic resolution in flash diffraction imaging of noncrystallized complex biological samples. We demonstrate the capacity of a correlation method called "partial covariance mapping'' to probe the electron dynamics of neon atoms exposed to intense 8 fs pulses of 1062 eV photons. A complete picture of ionization processes competing in hollow atom formation and decay is visualized with unprecedented ease and the map reveals hitherto unobserved nonlinear sequences of photoionization and Auger events. The technique is particularly well suited to the high counting rate inherent in FEL experiments.

  • 28.
    Goldsztejn, G.
    et al.
    CNRS, UMR 7614, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;Univ Paris 06, Univ Paris 04, Lab Chim Phys Matiere & Rayonnement, UMR 7614, F-75005 Paris, France..
    Marchenko, T.
    CNRS, UMR 7614, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;Univ Paris 06, Univ Paris 04, Lab Chim Phys Matiere & Rayonnement, UMR 7614, F-75005 Paris, France..
    Guillemin, R.
    CNRS, UMR 7614, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;Univ Paris 06, Univ Paris 04, Lab Chim Phys Matiere & Rayonnement, UMR 7614, F-75005 Paris, France..
    Journel, L.
    CNRS, UMR 7614, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;Univ Paris 06, Univ Paris 04, Lab Chim Phys Matiere & Rayonnement, UMR 7614, F-75005 Paris, France..
    Kushawaha, R. K.
    CNRS, UMR 7614, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;Univ Paris 06, Univ Paris 04, Lab Chim Phys Matiere & Rayonnement, UMR 7614, F-75005 Paris, France..
    Puettner, R.
    Free Univ Berlin, Inst Expt Phys, D-14195 Berlin, Germany..
    Ceolin, D.
    Synchrotron SOLEIL, Orme Merisiers, F-91192 Gif Sur Yvette, France..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. CNRS, UMR 7614, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;Univ Paris 06, Univ Paris 04, Lab Chim Phys Matiere & Rayonnement, UMR 7614, F-75005 Paris, France..
    Simon, M.
    CNRS, UMR 7614, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;Univ Paris 06, Univ Paris 04, Lab Chim Phys Matiere & Rayonnement, UMR 7614, F-75005 Paris, France.;Synchrotron SOLEIL, Orme Merisiers, F-91192 Gif Sur Yvette, France..
    Ultrafast Dynamics And Electronic State - Lifetime Interferences In Chlorine-Containing Molecules2015In: Journal of Physics, Conference Series, ISSN 1742-6588, E-ISSN 1742-6596, Vol. 635, article id 112092Article in journal (Refereed)
    Abstract [en]

    In order to have access to fine phenomena such as ultrafast nuclear dynamics and electronic state - lifetime interferences (ELI) at high energies (few keV), one has to rely on great experimental resolution. The new experimental HAXPES endstation at the GALAXIES beamline of the French synchrotron SOLEIL provides photons in the 2-12 keV energy range along with a total instrumental resolution below 500 meV. In this work we show experimental evidences of ultrafast nuclear dynamics and ELI on HCl and CH3Cl excited around the Cl 1s resonance. We show also simulations that allow to disentangle the contribution of nuclear dynamics and ELI in our experimental spectra.

  • 29.
    Goldsztejn, G.
    et al.
    Max Born Inst, Max Born Str 2A, D-12489 Berlin, Germany.;UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Puettner, R.
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany..
    Journel, L.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France.;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Guillemin, R.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France.;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Travnikova, O.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France.;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    de Miranda, B. Cunha
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Ismail, I.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Carniato, S.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Selles, P.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Ceolin, D.
    Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Lago, A. F.
    Univ Fed ABC, Ctr Ciencias Nat & Humanas, Rua Santa Adelia 166, BR-09210170 Santo Andre, SP, Brazil..
    Feifel, R.
    Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden..
    Lablanquie, P.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Penent, F.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France.
    Simon, M.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France.;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Marchenko, T.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France.;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Experimental and theoretical study of the double-core-hole hypersatellite Auger spectrum of Ne2017In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 96, no 1, article id 012513Article in journal (Refereed)
    Abstract [en]

    We present the hypersatellite Auger spectrum of neon which contains the decay transitions of the K-2, K-2V, K-2L-1, K-2L-1V, and K-1L-1V states. The Auger decays of these types of core-hole states show different line shapes and linewidths which can be distinguished due to the high experimental resolution available for the present experiments. The individual Auger transitions are assigned based on various approaches. Complementary calculations are performed to assign the K-2L-1 -> K-1L-3 and the K-2L-1V -> K-1L-3V Auger transitions. Based on the obtained results we were able to derive the ratio for the double to single ionization yield.

  • 30.
    Goldsztejn, G.
    et al.
    UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France..
    Puettner, R.
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany..
    Journel, L.
    UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France.;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Guillemin, R.
    UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France.;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Travnikova, O.
    UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France.;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Kushawaha, R. K.
    UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France..
    de Miranda, B. Cunha
    UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France..
    Ismail, I.
    UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France..
    Ceolin, D.
    Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France..
    Simon, M.
    UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France.;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Marchenko, T.
    UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France.;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Electronic-state-lifetime interference in the hard-x-ray regime: Argon as a showcase2017In: PHYSICAL REVIEW A, ISSN 2469-9926, Vol. 95, no 1, article id 012509Article in journal (Refereed)
    Abstract [en]

    Electronic-state-lifetime interference is a phenomenon specific for ionization of atoms and molecules in the hard-x-ray regime. Using resonant KL2,3L2,3 Auger decay in argon as a showcase, we present a model that allows extracting the interference terms directly from the cross sections of the final electronic states. The analysis provides fundamental information on the excitation and decay processes such as probabilities of various decay paths and the values of the dipole matrix elements for transitions to the excited states. Our results shed light on the interplay between spectator, shake-down, and shake-up processes in the relaxation of deep core-hole states.

  • 31.
    Goldsztejn, Gildas
    et al.
    Univ Paris 06, Univ Paris 04, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France..
    Marchenko, Tatiana
    Univ Paris 06, Univ Paris 04, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Ceolin, Denis
    LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Journel, Loic
    Univ Paris 06, Univ Paris 04, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Guillemin, Renaud
    Univ Paris 06, Univ Paris 04, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Rueff, Jean-Pascal
    Univ Paris 06, Univ Paris 04, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Kushawaha, Rajesh K.
    Univ Paris 06, Univ Paris 04, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France..
    Puettner, Ralph
    Free Univ Berlin, Inst Expt Phys, Arnimallee 14, D-14195 Berlin, Germany..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics. Univ Paris 06, Univ Paris 04, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France..
    Simon, Marc
    Univ Paris 06, Univ Paris 04, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France.;LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Electronic state-lifetime interference in resonant Auger spectra: a tool to disentangle overlapping core-excited states2016In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 18, no 22, p. 15133-15142Article in journal (Refereed)
    Abstract [en]

    We have measured resonant-Auger decay following Cl 1s(-1) excitations in HCl and CH3Cl molecules, and extracted the pseudo-cross sections of different Cl 2p(-2) final states. These cross sections show clear evidence of shake processes as well as contributions of electronic state-lifetime interference (ELI). To describe the spectra we developed a fit approach that takes into account ELI contributions and ultrafast nuclear dynamics in dissociative core-excited states. Using this approach we utilized the ELI contributions to obtain the intensity ratios of the overlapping states Cl 1s(-1)4p pi/1s(-1)4p sigma in HCl and Cl 1s(-1)4pe/1s(-1)4pa(1) in CH3Cl. The experimental value for HCl is compared with theoretical results showing satisfactory agreement.

  • 32. Guillemin, R.
    et al.
    Decleva, P.
    Stener, M.
    Bomme, C.
    Marin, T.
    Journel, L.
    Marchenko, T.
    Kushawaha, R. K.
    Jankala, K.
    Trcera, N.
    Bowen, K. P.
    Lindle, D. W.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Simon, M.
    Selecting core-hole localization or delocalization in CS2 by photofragmentation dynamics2015In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 6, article id 6166Article in journal (Refereed)
    Abstract [en]

    Electronic core levels in molecules are highly localized around one atomic site. However, in single-photon ionization of symmetric molecules, the question of core-hole localization versus delocalization over two equivalent atoms has long been debated as the answer lies at the heart of quantum mechanics. Here, using a joint experimental and theoretical study of core-ionized carbon disulfide (CS2), we demonstrate that it is possible to experimentally select distinct molecular-fragmentation pathways in which the core hole can be considered as either localized on one sulfur atom or delocalized between two indistinguishable sulfur atoms. This feat is accomplished by measuring photoelectron angular distributions within the frame of the molecule, directly probing entanglement or disentanglement of quantum pathways as a function of how the molecule dissociates.

  • 33.
    Guillemin, R.
    et al.
    Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS, UMR 7614, F-75005 Paris, France.
    Gerchikov, L.
    Peter Great St Petersburg Polytech Univ, Dept Expt Phys, St Petersburg 195251, Russia.
    Sheinerman, S.
    St Petersburg State Marine Tech Univ, Dept Phys, St Petersburg 190121, Russia.
    Zmerli, M.
    Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS, UMR 7614, F-75005 Paris, France.
    Marin, T.
    Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS, UMR 7614, F-75005 Paris, France.
    Journel, L.
    Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS, UMR 7614, F-75005 Paris, France.
    Travnikova, O.
    Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS, UMR 7614, F-75005 Paris, France.
    Marchenko, T.
    Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS, UMR 7614, F-75005 Paris, France.
    Lassalle-Kaiser, B.
    Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS, UMR 7614, F-75005 Paris, France.
    Simon, M.
    Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS, UMR 7614, F-75005 Paris, France.
    Photoelectron-Auger-electron angular-momentum transfer in core-ionized Ar: Beyond the standard post-collision-interaction model2019In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 99, no 6, article id 063409Article in journal (Refereed)
    Abstract [en]

    Electron-ion coincidence experimental data obtained following argon 1s photoionization are reported. Slow photoelectrons were measured in coincidence with Ar+ and Ar2+ ions, and the beta angular distribution parameter was obtained. The measured beta parameter for the Ar2+-photoelectron coincidence measurements shows a significant deviation from the beta = 2 expected value. With the support of a quantum mechanical theory of post-collision interaction (PCI) which goes beyond the standard model, we attribute this deviation to angular-momentum exchange due to the interaction of the photoelectron with the Auger electron, while the role of the residual ion is negligible. The main mechanism of angular-momentum transfer and its effect on the asymmetry parameter beta near the photoionization threshold are considered.

  • 34.
    Guillemin, R.
    et al.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.;Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Jankala, K.
    Univ Oulu, Nano & Mol Syst Res Unit, POB 3000, Oulu 90014, Finland..
    de Miranda, B. Cunha
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France..
    Marin, T.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France..
    Journel, L.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.;Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Marchenko, T.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.;Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Travnikova, O.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.;Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Goldsztejn, G.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France..
    Ismail, I.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France..
    Puettner, R.
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany..
    Ceolin, D.
    Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Lassalle-Kaiser, B.
    Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement, Paris, France.
    Simon, M.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.;Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Interplay of complex decay processes after argon 1s ionization2018In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 97, no 1, article id 013418Article in journal (Refereed)
    Abstract [en]

    Complex decay pathways involving radiative and nonradiative relaxation after deep core-level ionization in argon are disentangled by a unique combination of several synchrotron radiation-based spectroscopic techniques. In particular, by comparing the results obtained from electron-ion coincidence, photon-ion coincidence, and x-ray emission measurements, we are able to distinguish the final ionic states produced in the cascade decay involving K alpha and K beta radiative decay and final ionic states produced by nonradiative cascade decay. High-resolution Auger electron spectroscopy is then used as a complementary tool to identify the LMM transitions contributing to the cascade decay. Ab initio calculations are performed to identify the electronic states involved in the LMM decay.

  • 35.
    Guillemin, R.
    et al.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.;Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Jänkälä, K.
    Univ Oulu, Nano & Mol Syst Res Unit, POB 3000, Oulu 90014, Finland..
    de Miranda, B. Cunha
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France..
    Marin, T.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France..
    Journel, L.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.;Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Marchenko, T.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.;Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Travnikova, O.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.;Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Goldsztejn, G.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France..
    Ismail, I.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France..
    Puettner, R.
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany..
    Ceolin, D.
    Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Lassalle-Kaiser, B.
    Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.
    Simon, M.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.;Orme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Interplay of complex decay processes after argon 1s ionization2018In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 97, no 1, article id 013418Article in journal (Refereed)
    Abstract [en]

    Complex decay pathways involving radiative and nonradiative relaxation after deep core-level ionization in argon are disentangled by a unique combination of several synchrotron radiation-based spectroscopic techniques. In particular, by comparing the results obtained from electron-ion coincidence, photon-ion coincidence, and x-ray emission measurements, we are able to distinguish the final ionic states produced in the cascade decay involving K alpha and K beta radiative decay and final ionic states produced by nonradiative cascade decay. High-resolution Auger electron spectroscopy is then used as a complementary tool to identify the LMM transitions contributing to the cascade decay. Ab initio calculations are performed to identify the electronic states involved in the LMM decay.

  • 36. Guillemin, R.
    et al.
    Sheinerman, S.
    Bomme, C.
    Journel, L.
    Marin, T.
    Marchenko, T.
    Kushawaha, R. K.
    Trcera, N.
    Piancastelli, M. N.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Simon, M.
    Ultrafast Dynamics in Postcollision Interaction after Multiple Auger Decays in Argon 1s Photoionization2012In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 109, no 1, p. 013001-Article in journal (Refereed)
  • 37. Guillemin, R.
    et al.
    Sheinerman, S.
    Puettner, R.
    Marchenko, T.
    Goldsztejn, G.
    Journel, L.
    Kushawaha, R. K.
    Ceolin, D.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Simon, M.
    Postcollision interaction effects in KLL Auger spectra following argon 1s photoionization2015In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 92, no 1, article id 012503Article in journal (Refereed)
    Abstract [en]

    Postcollision interaction effects on the Auger decay of a deep core hole are studied both experimentally and theoretically. KL2,L-3(2),(3) decay spectra of the Ar 1s vacancy are measured with high-energy resolution with excess photon energies ranging from 0 to 200 eV above the ionization threshold. Interaction of the Auger electron with the photoelectron and the ion field manifests itself in the Auger spectra as a distortion of the energy distribution of the Auger electron close to threshold. Moreover, recapture of the photoelectron due to energy exchange is dominating in the low-photon-energy range above threshold. The experimental results are compared with calculations based on the semiclassical approach to the postcollision interaction. The energies of the discrete levels and individual recapture cross sections are computed in the Hartree-Fock approximation. Good agreement is found between the calculated and experimental spectra, validating the model used.

  • 38. Guillemin, Renaud
    et al.
    Bomme, Cedric
    Marin, Thierry
    Journel, Loic
    Marchenko, Tatiana
    Kushawaha, Rajesh K.
    Trcera, Nicolas
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Simon, Marc
    Complex decay patterns in atomic core photoionization disentangled by ion-recoil measurements2011In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 84, no 6, article id 063425Article in journal (Refereed)
    Abstract [en]

    Following core 1s ionization and resonant excitation of argon atoms, we measure the recoil energy of the ions due to momentum conservation during the emission of Auger electrons. We show that such ion momentum spectroscopy can be used to disentangle to some degree complex decay patterns, involving both radiative and nonradiative decays.

  • 39.
    Guillemin, Renaud
    et al.
    UPMC Univ Paris 06, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.; CNRS, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.
    Carniato, Stephane
    UPMC Univ Paris 06, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.; CNRS, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.
    Journel, Loic
    UPMC Univ Paris 06, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.; CNRS, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.
    Stolte, Wayne C.
    Univ Nevada, Dept Chem, Las Vegas.
    Marchenko, Tatiana
    UPMC Univ Paris 06, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.; CNRS, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.
    El Khoury, Lara
    UPMC Univ Paris 06, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.; CNRS, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.
    Kawerk, Elie
    UPMC Univ Paris 06, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.; CNRS, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. UPMC Univ Paris 06, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.; CNRS, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.
    Hudson, Amanda C.
    Univ Nevada, Dept Chem, Las Vegas.
    Lindle, Dennis W.
    Univ Nevada, Dept Chem, Las Vegas.
    Simon, Marc
    UPMC Univ Paris 06, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.; CNRS, UMR 7614, Lab Chim Phys Mat & Rayonnement, Paris.
    A review of molecular effects in gas-phase KL X-ray emission2013In: Journal of Electron Spectroscopy and Related Phenomena, ISSN 0368-2048, E-ISSN 1873-2526, Vol. 188, p. 53-61Article, review/survey (Refereed)
    Abstract [en]

    The unique capabilities of resonant inelastic X-ray scattering (RIXS) to provide a deep insight into molecular dynamics following core excitation are reviewed here. Characteristic features of molecular X-ray emission are experimentally observed and theoretically interpreted. Some of our most significant results on molecular dynamics following deep core excitation are presented. In particular, we provide several examples of nuclear dynamics on the femtosecond or subfemtosecond time scale; line-narrowing effects related to the quenching of vibrational structure due to parallelism of intermediate and final state curves; anomalous line dispersion across a resonance, which is due to core-hole lifetime effects; spin–orbit-state populations derived from polarized RIXS experiments. We also show how to connect the RIXS results to the general chemical properties of the investigated systems.

  • 40. Guillemin, Renaud
    et al.
    Stolte, Wayne C.
    Journel, Loic
    Carniato, Stephane
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Lindle, Dennis W.
    Simon, Marc
    Angular and dynamical properties in resonant inelastic x-ray scattering: Case study of chlorine-containing molecules2012In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 86, no 1, article id 013407Article in journal (Refereed)
    Abstract [en]

    Polarization-dependent resonant inelastic x-ray scattering (RIXS) has been shown to be a probe of molecular-field effects on the electronic structure of isolated molecules. In this experimental analysis we explain the linear dichroism observed in Cl 2p polarized RIXS following Cl 1s excitation of a series of chlorofluoromethanes (CF3Cl, CF2Cl2, CFCl3, and CCl4) as due to molecular-field effects, including singlet-triplet exchange. We present an approach to extract directly the 2p inner-shell electronic state populations from the experimental measurements. Using the angular properties of the measured KV emission we also are able to determine the value of the polarization anisotropy parameter beta(p) for each resolved component of the KV emission spectra.

  • 41. Hennies, F.
    et al.
    Polyutov, S.
    Minkov, I.
    Pietzsch, A.
    Nagasono, M.
    Gel´mukhanov, F.
    Triguero, L.
    Piancastelli, Maria Novella
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics V.
    Wurth, W.
    Ågren, H.
    Föhlisch, A.
    Nonadiabatic Effects in Resonant Inelastic X-ray Scattering2005In: Phys. Rev. Lett., Vol. 95, p. 163002-Article in journal (Refereed)
  • 42.
    Hjelte, Ingela
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics V.
    Björneholm, Olle
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics V.
    Carravetta, V.
    Angeli, C.
    Cimiraglia, R.
    Wiesner, K.
    Svensson, Svante
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics V.
    Piancastelli, Maria Novella
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics V.
    Constant-atomic-final-state filtering of dissociative states in the O1sŮɖ* core excitation in O22005In: J. Chem. Phys., Vol. 123, p. 06431-Article in journal (Refereed)
  • 43.
    Ilchen, Markus
    et al.
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Hegazy, Kareem
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Helml, Wolfram
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Hartmann, Nick
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Lindahl, Anton
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Bostedt, Christoph
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Bucher, Max
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Cryan, James
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Ding, Yuantao
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Ferguson, Ken
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Krzyvinski, Jacek
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Lewendowski, James
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Li, Renkai
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Lutman, Alberto
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Marinelli, Agostino
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Waxen, Tim
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Osipov, Timur
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Shen, Xiaozhe
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Vecchione, Theo
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Walter, Peter
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Wang, Jie
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Weathersby, Stephen
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Huang, Zhirong
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Wang, Xijie
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Fry, Alan
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Coffee, Ryan
    SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA..
    Hartmann, Gregor
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Shevchuk, Ivan
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Viethaus, Jens
    DESY, Notkestr 85, D-22607 Hamburg, Germany..
    Buck, Jens
    European XFEL GmbH, Notkestr 85, D-22607 Hamburg, Germany..
    Gaiter, Andreas
    European XFEL GmbH, Notkestr 85, D-22607 Hamburg, Germany..
    Glaser, Leif
    European XFEL GmbH, Notkestr 85, D-22607 Hamburg, Germany..
    Greunert, Jan
    European XFEL GmbH, Notkestr 85, D-22607 Hamburg, Germany..
    Liu, Jia
    European XFEL GmbH, Notkestr 85, D-22607 Hamburg, Germany..
    Meyer, Michael
    European XFEL GmbH, Notkestr 85, D-22607 Hamburg, Germany..
    Knie, Andre
    Univ Kassel, Mnchebergstr 19, D-34109 Kassel, Germany..
    Miron, Catalin
    ELI Delivery Consortium AISBL, Rue Montoyer 23, B-1000 Brussels, Belgium..
    Guillemin, Renaud
    11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Simon, Marc
    11 Rue Pierre & Marie Curie, F-75231 Paris 05, France..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Toward unifying chemical function with molecular structure using strong fields, x-rays, and electrons2016In: 2016 Conference On Lasers And Electro-Optics (CLEO), 2016Conference paper (Refereed)
    Abstract [en]

    Strong field molecular control can be used as a correlation parameter, allowing one to combine free electron laser based x-ray spectroscopy together with ultrafast electron diffraction. We will discuss this also in the light of emerging non-linear x-ray techniques.

  • 44.
    Ismail, I.
    et al.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France.
    Guillemin, R.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France.
    Marchenko, T.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France.
    Travnikova, O.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France.
    Ablett, J. M.
    Synchrotron SOLEIL, Orme Merisiers, F-91192 Gif Sur Yvette, France.
    Rueff, J. -P
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Simon, M.
    Synchrotron SOLEIL, Orme Merisiers, F-91192 Gif Sur Yvette, France;UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France.
    Journel, L.
    UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 7614,Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France.
    Experimental setup for the study of resonant inelastic X-ray scattering of organometallic complexes in gas phase2018In: Review of Scientific Instruments, ISSN 0034-6748, E-ISSN 1089-7623, Vol. 89, no 6, article id 063107Article in journal (Refereed)
    Abstract [en]

    A new setup has been designed and built to study organometallic complexes in gas phase at the third-generation Synchrotron radiation sources. This setup consists of a new homemade computer-controlled gas cell that allows us to sublimate solid samples by accurately controlling the temperature. This cell has been developed to be a part of the high-resolution X-ray emission spectrometer permanently installed at the GALAXIES beamline of the French National Synchrotron Facility SOLEIL. To illustrate the capabilities of the setup, the cell has been successfully used to record high-resolution K alpha emission spectra of gas-phase ferrocene Fe(C5H5)(2) and to characterize their dependence with the excitation energy. This will allow to extend resonant X-ray emission to different organometallic molecules.

  • 45.
    Iwayama, H.
    et al.
    Inst Mol Sci, UVSOR Synchrotron Facil, Okazaki, Aichi 4448585, Japan..
    Leonard, C.
    Univ Paris Est Marne la Vallee, Lab Modelisat & Simulat Multi Echelle UMR CNRS 82, F-77454 Marne La Vallee, France..
    Le Quere, F.
    Univ Paris Est Marne la Vallee, Lab Modelisat & Simulat Multi Echelle UMR CNRS 82, F-77454 Marne La Vallee, France..
    Carniato, S.
    UPMC Univ Paris 6, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France..
    Guillemin, R.
    UPMC Univ Paris 6, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France..
    Simon, M.
    UPMC Univ Paris 6, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. UPMC Univ Paris 6, Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement,UMR 7614, F-75005 Paris, France.
    Shigemasa, E.
    Inst Mol Sci, UVSOR Synchrotron Facil, Okazaki, Aichi 4448585, Japan..
    Different Time Scales in the Dissociation Dynamics of Core-Excited CF4 by Two Internal Clocks2017In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 119, no 20, article id 203203Article in journal (Refereed)
    Abstract [en]

    Fragmentation processes following C 1s -> lowest unoccupied molecular orbital core excitations in CF4 have been analyzed on the ground of the angular distribution of the CF3+ emitted fragments by means of Auger electron-photoion coincidences. Different time scales have been enlightened, which correspond to either ultrafast fragmentation, on the few-femtosecond scale, where the molecule has no time to rotate and the fragments are emitted according to the maintained orientation of the core-excited species, or dissociation after resonant Auger decay, where the molecule still keeps some memory of the excitation process before reassuming random orientation. Potential energy surfaces of the ground, core-excited, and final states have been calculated at the ab initio level, which show the dissociative nature of the neutral excited state, leading to ultrafast dissociation, as well as the also dissociative nature of some of the final ionic states reached after resonant Auger decay, yielding the same fragments on a much longer time scale.

  • 46.
    Kawerk, Elie
    et al.
    Univ Paris 06, Lab Chim Phys Mat & Rayonnement, Paris.; Univ Libanaise, Fac Sci Fanar 2, Lab Phys Appl, Lebanon.
    Carniato, Stephane
    Univ Paris 06, Lab Chim Phys Mat & Rayonnement, Paris.
    Iwayama, Hiroshi
    Natl Inst Nat Sci, Inst Mol Sci, Ultraviolet Synchrotron Orbital Radiat Facil, Okazaki.
    Shigemasa, Eiji
    Natl Inst Nat Sci, Inst Mol Sci, Ultraviolet Synchrotron Orbital Radiat Facil, Okazaki.
    Piancastelli, Maria Novella
    Univ Paris 06, Lab Chim Phys Mat & Rayonnement, Paris.
    Wassaf, Joseph
    Univ Libanaise, Fac Sci Fanar 2, Lab Phys Appl, Lebanon.
    Khoury, Antonio
    Univ Libanaise, Fac Sci Fanar 2, Lab Phys Appl, Lebanon.
    Simon, Marc
    Univ Paris 06, Lab Chim Phys Mat & Rayonnement, Paris.
    Experimental and theoretical study of X-ray absorption around the chlorine L edge in vinyl chloride2013In: Journal of Electron Spectroscopy and Related Phenomena, ISSN 0368-2048, E-ISSN 1873-2526, Vol. 186, p. 1-7Article in journal (Refereed)
    Abstract [en]

    We present a combined experimental and theoretical study of the high-resolution chlorine L edge X-ray absorption spectrum in gas-phase vinyl chloride (C2H3Cl). With the help of ab-initio calculations, we interpret the experimental spectrum and attribute each band to its corresponding electronic transitions terminating at states characterized by an either binding or dissociative potential energy surface (PES). Vibrational substructures in some specific core-excited electronic states are taken into account.

  • 47. Kawerk, Elie
    et al.
    Carniato, Stephane
    Journel, Loic
    Marchenko, Tatiana
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Zitnik, Matjaz
    Bucar, Klemen
    Bohnic, Rok
    Kavcic, Matjaz
    Ceolin, Denis
    Khoury, Antonio
    Simon, Marc
    Resonant inelastic x-ray scattering on iso-C2H2Cl2 around the chlorine K-edge: Structural and dynamical aspects2014In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 141, no 14, p. 144301-Article in journal (Refereed)
    Abstract [en]

    We report a theoretical and experimental study of the high resolution resonant K-alpha X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the K-alpha emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state.  

  • 48. Kim, J. W.
    et al.
    Carbone, M.
    Dil, J. H.
    Tallarida, M.
    Flammini, R.
    Casaletto, M. P.
    Horn, K.
    Piancastelli, Maria Novella
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics and Materials Science, Physics V.
    Atom-Specific Identification of Adsorbed Chiral Molecules by Photoemission2005In: Phys. Rev. Lett., Vol. 95, p. 107601-Article in journal (Refereed)
  • 49.
    Koulentianos, D.
    et al.
    Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden;Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France.
    Carniato, S.
    Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France.
    Püttner, R.
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany.
    Goldsztejn, G.
    Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France.
    Marchenko, T.
    Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France.
    Travnikova, O.
    Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France.
    Journel, L.
    Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France.
    Guillemin, R.
    Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France.
    Ceolin, D.
    Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France.
    Rocco, M. L. M.
    Univ Fed Rio de Janeiro, Inst Chem, BR-21941909 Rio De Janeiro, Brazil.
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France.
    Feifel, R.
    Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden.
    Simon, M.
    Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris 05, France;Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France.
    Double-core-hole states in CH3CN: Pre-edge structures and chemical-shift contributions2018In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 149, no 13, article id 134313Article in journal (Refereed)
    Abstract [en]

    Spectra reflecting the formation of single-site double-core-hole pre-edge states involving the N 1s and C 1s core levels of acetonitrile have been recorded by means of high-resolution single-channel photoelectron spectroscopy using hard X-ray excitation. The data are interpreted with the aid of ab initio quantum chemical calculations, which take into account the direct or conjugate nature of this type of electronic states. Furthermore, the photoelectron spectra of N 1s and C 1s singly core-ionized states have been measured. From these spectra, the chemical shift between the two C 1s(-1) states is estimated. Finally, by utilizing C 1s single and double core-ionization potentials, initial and final state effects for the two inequivalent carbon atoms have been investigated. 

  • 50.
    Koulentianos, D.
    et al.
    Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden.;UPMC Univ Paris 06, CNRS, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement,UMR 7614, F-75005 Paris 05, France..
    Püttner, R.
    Free Univ Berlin, Fachbereich Phys, Arnimallee 14, D-14195 Berlin, Germany..
    Goldsztejn, G.
    UPMC Univ Paris 06, CNRS, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement,UMR 7614, F-75005 Paris 05, France.;Max Born Inst, Max Born Str 2A, D-12489 Berlin, Germany..
    Marchenko, T.
    UPMC Univ Paris 06, CNRS, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement,UMR 7614, F-75005 Paris 05, France.;LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Travnikova, O.
    UPMC Univ Paris 06, CNRS, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement,UMR 7614, F-75005 Paris 05, France.;LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Journel, L.
    UPMC Univ Paris 06, CNRS, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement,UMR 7614, F-75005 Paris 05, France.;LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Guillemin, R.
    UPMC Univ Paris 06, CNRS, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement,UMR 7614, F-75005 Paris 05, France.;LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Ceolin, D.
    LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Piancastelli, Maria Novella
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. UPMC Univ Paris 06, CNRS, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement,UMR 7614, F-75005 Paris 05, France.
    Simon, M.
    UPMC Univ Paris 06, CNRS, Sorbonne Univ, Lab Chim Phys Mat & Rayonnement,UMR 7614, F-75005 Paris 05, France.;LOrme Merisiers, Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
    Feifel, R.
    Univ Gothenburg, Dept Phys, Origovagen 6B, SE-41296 Gothenburg, Sweden..
    KL double core hole pre-edge states of HCl2018In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 20, no 4, p. 2724-2730Article in journal (Refereed)
    Abstract [en]

    The formation of double core hole pre-edge states of the form 1s(-1)2p(-1)(1,3P)sigma*,nl for HCl, located on the binding energy scale as deep as 3 keV, has been investigated by means of a high resolution single channel electron spectroscopy technique recently developed for the hard X-ray region. A detailed spectroscopic assignment is performed based on ab initio quantum chemical calculations and by using a sophisticated fit model comprising regular Rydberg series. Quantum defects for the different Rydberg series are extracted and the energies for the associated double core hole ionization continua are extrapolated. Dynamical information such as the lifetime width of these double-core-hole pre-edge states and the slope of the related dissociative potential energy curves are also obtained. In addition, 1s(-1)2p(-1)V(-1)nl lambda n'l'lambda' double shake-up transitions and double core hole states of the form 1s(-1)2s(-1)(S-1,S-3)sigma*,4s are observed.

12 1 - 50 of 88
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