Electron-vibron coupling in halogenated acenaphthenequinone upon O K-edge soft x-ray absorption
Schmidt NA, Clark T, Urquhart SG, Fink R (2011)
Publication Type: Journal article, Original article
Publication year: 2011
Journal
Original Authors: Schmidt N., Clark T., Urquhart S.G., Fink R.H.
Publisher: American Institute of Physics (AIP)
Book Volume: 135
Article Number: 144301
Journal Issue: 14
DOI: 10.1063/1.3646732
Abstract
We present high resolution oxygen K near-edge x-ray absorption spectra of the acenaphthenequinone (ANQ) derivative 3,8-dibromo-5,6-dichloro-ANQ (Br Cl-ANQ). The spectral features exhibit an almost identical vibronic fine structure compared to that shown by ANQ. The unequal distances of the vibronic levels as derived from the least-squares fit analysis of the vibronic progressions allows us to determine the anharmonicity of the excited state potentials involved. We conclude that a single vibrational progression couples to the resonant excitation of O 1s core electrons preferentially. Comparison of the two ANQ derivatives gives a clear indication that the vibronic mode corresponds to a C=O stretching mode, rather than coupling to a C-H mode as suggested previously. These conclusions are supported by density functional theory calculations. © 2011 American Institute of Physics.
Authors with CRIS profile
Norman Anja Schmidt
Professur für Physikalische Chemie
Timothy Clark
Computer-Chemie-Centrum (CCC)
Rainer Fink
Professur für Physikalische Chemie
Additional Organisation(s)
Involved external institutions
Canada (CA)How to cite
APA:
Schmidt, N.A., Clark, T., Urquhart, S.G., & Fink, R. (2011). Electron-vibron coupling in halogenated acenaphthenequinone upon O K-edge soft x-ray absorption. Journal of Chemical Physics, 135(14). https://doi.org/10.1063/1.3646732
MLA:
Schmidt, Norman Anja, et al. "Electron-vibron coupling in halogenated acenaphthenequinone upon O K-edge soft x-ray absorption." Journal of Chemical Physics 135.14 (2011).
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