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  Photoelectron Spectroscopy of Benzene in the Liquid Phase and Dissolved in Liquid Ammonia

Schewe, H. C., Brezina, K., Kostal, V., Mason, P. E., Buttersack, T., Stemer, D., et al. (2022). Photoelectron Spectroscopy of Benzene in the Liquid Phase and Dissolved in Liquid Ammonia. The Journal of Physical Chemistry B, 126(1), 229-238. doi:10.1021/acs.jpcb.1c08172.

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 Creators:
Schewe, H. Christian1, Author
Brezina, Krystof1, 2, Author
Kostal, Vojtech1, Author
Mason, Philip E.1, Author
Buttersack, Tillmann3, Author              
Stemer, Dominik3, Author              
Seidel, Robert4, Author
Quevedo, Wilson4, Author
Trinter, Florian3, 5, Author              
Winter, Bernd3, Author              
Jungwirth, Pavel1, Author
Affiliations:
1Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, 166 10 Prague 6, Czech Republic, ou_persistent22              
2Charles University, Faculty of Mathematics and Physics, 121 16 Prague 2, Czech Republic, ou_persistent22              
3Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
4Helmholtz-Zentrum Berlin für Materialien und Energie, D-14109 Berlin, Germany, ou_persistent22              
5Institut für Kernphysik, Goethe-Universität Frankfurt, D-60438 Frankfurt am Main, Germany, ou_persistent22              

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 Abstract: We report valence band photoelectron spectroscopy measurements of gas-phase and liquid-phase benzene as well as those of benzene dissolved in liquid ammonia, complemented by electronic structure calculations. The origins of the sizable gas-to-liquid-phase shifts in electron binding energies deduced from the benzene valence band spectral features are quantitatively characterized in terms of the Born–Haber solvation model. This model also allows to rationalize the observation of almost identical shifts in liquid ammonia and benzene despite the fact that the former solvent is polar while the latter is not. For neutral solutes like benzene, it is the electronic polarization response determined by the high frequency dielectric constant of the solvent, which is practically the same in the two liquids, that primarily determines the observed gas-to-liquid shifts.

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Language(s): eng - English
 Dates: 2021-09-162021-12-222022-01-13
 Publication Status: Published in print
 Pages: 10
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/acs.jpcb.1c08172
 Degree: -

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Title: The Journal of Physical Chemistry B
  Abbreviation : J. Phys. Chem. B
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: 10 Volume / Issue: 126 (1) Sequence Number: - Start / End Page: 229 - 238 Identifier: ISSN: 1520-6106
CoNE: https://pure.mpg.de/cone/journals/resource/1000000000293370_1