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The ESCA molecule-Historical remarks and new results
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
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2012 (English)In: Journal of Electron Spectroscopy and Related Phenomena, ISSN 0368-2048, E-ISSN 1873-2526, Vol. 185, no 8-9, 191-197 p.Article in journal (Refereed) Published
Abstract [en]

The C is photoelectron spectrum of ethyl trifluoroacetate (CF3-CO-O-CH2-CH3), also known as the 'ESCA molecule', is the most illustrative showcase of chemical shifts in photoelectron spectroscopy. The binding energies of the four carbon atoms of this molecule spread over more than 8 eV with energy separations ranging from 1.7 to 3.1 eV owing to different chemical environments and hence different charge states of these atoms. The paper discusses history and importance of this spectrum in the field of photoelectron spectroscopy starting from the time of invention of the ESCA technique. The main focus of the paper is a 'revisit' of this spectrum using the most modern experimental and computational tools. Large geometrical changes, different for each ionization site, and the presence of two conformers of ethyl trifluoroacetate influence the spectral lineshapes of all four C 1s lines. These effects are carefully modeled by theory and investigated in the experimental spectrum.

Place, publisher, year, edition, pages
2012. Vol. 185, no 8-9, 191-197 p.
Keyword [en]
ESCA, Core photoelectron chemical shift
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-182765DOI: 10.1016/j.elspec.2012.05.009ISI: 000308627700002OAI: oai:DiVA.org:uu-182765DiVA: diva2:561209
Available from: 2012-10-17 Created: 2012-10-15 Last updated: 2017-12-07Bibliographically approved

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Söderström, JohanMårtensson, NilsSvensson, Svante

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