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

0551617 - ÚOCHB 2023 RIV US eng J - Journal Article
Schewe, Hanns Christian - Březina, Kryštof - Košťál, Vojtěch - Mason, Philip E. - Buttersack, T. - Stemer, D. M. - Seidel, R. - Quevedo, W. - Trinter, F. - Winter, B. - Jungwirth, Pavel
Photoelectron Spectroscopy of Benzene in the Liquid Phase and Dissolved in Liquid Ammonia.
Journal of Physical Chemistry B. Roč. 126, č. 1 (2022), s. 229-238. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : spectra * photoemission * molecules
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcb.1c08172

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.
Permanent Link: http://hdl.handle.net/11104/0326864