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Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol
Univ Roma La Sapienza, Dipartimento Chim & Tecnol Farmaco, Ple A Moro 5, I-00185 Rome, Italy;Univ Roma Tor Vergata, Dipartimento Sci & Tecnol Chim, Via Ric Sci, I-00133 Rome, Italy;CERIC ERIC, Basovizza Area Sci Pk, I-34149 Trieste, Italy.
ISM CNR, Basovizza Area Sci Pk, I-34149 Trieste, Italy;Elettra Sincrotrone Trieste, Ss 14,Km 163,5, I-34149 Trieste, Italy.ORCID iD: 0000-0003-4376-808X
Elettra Sincrotrone Trieste, Ss 14,Km 163,5, I-34149 Trieste, Italy.ORCID iD: 0000-0001-5491-7752
Elettra Sincrotrone Trieste, Ss 14,Km 163,5, I-34149 Trieste, Italy.
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2019 (English)In: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 123, no 7, p. 1295-1302Article in journal (Refereed) Published
Abstract [en]

The initial deactivation pathways of gaseous 2-nitrophenol excited at 268 nm were investigated by time-resolved photoelectron spectroscopy (TRPES) with femtosecond-VUV light, produced by a monochromatized high harmonic generation source. TRPES allowed us to obtain new, valuable experimental information about the ultrafast excited-state dynamics of 2-nitrophenol in the gas phase. In accord with recent ab initio on-the-fly nonadiabatic molecular dynamic simulations, our results validate the occurrence of an ultrafast intersystem crossing leading to an intermediate state that decays on a subpicosecond time scale with a branched mechanisms. Two decay pathways are experimentally observed. One probably involves proton transfer, leading to the most stable triplet aci-form of 2-nitrophenol; the second pathway may involve OH rotation. We propose that following intersystem crossing, an ultrafast fragmentation channel leading to OH or HONO loss could also be operative.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2019. Vol. 123, no 7, p. 1295-1302
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Physical Chemistry
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URN: urn:nbn:se:uu:diva-379260DOI: 10.1021/acs.jpca.8b10136ISI: 000459836600003PubMedID: 30668129OAI: oai:DiVA.org:uu-379260DiVA, id: diva2:1296539
Available from: 2019-03-15 Created: 2019-03-15 Last updated: 2019-03-15Bibliographically approved

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Puglia, Carla

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Coreno, MarcelloCallegari, CarloRessel, Barbarade Simone, MonicaPuglia, Carla
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