Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of benzene and deuterobenzene
(2002) In Physical Chemistry Chemical Physics 4(24). p.5937-5943- Abstract
- Vibrationally resolved C1s photoelectron spectra of benzene and d(6)-benzene have been recorded using monochromated synchrotron radiation at photon energies of 330 eV. The spectrum of normal benzene displays considerable vibrational structure. Particularly noteworthy is the strong excitation of a combined CCH-bending and CC-stretching mode which splits the main peak into two well-defined maxima. In d(6)-benzene, the vibrational energy levels are less well separated and the vibrational structure is reduced to strong asymmetry of the main peak and a broad tail extending toward higher ionization energy. The recorded spectra are analyzed using first-principle and curve-fitting procedures. A theoretical model that allows for incomplete... (More)
- Vibrationally resolved C1s photoelectron spectra of benzene and d(6)-benzene have been recorded using monochromated synchrotron radiation at photon energies of 330 eV. The spectrum of normal benzene displays considerable vibrational structure. Particularly noteworthy is the strong excitation of a combined CCH-bending and CC-stretching mode which splits the main peak into two well-defined maxima. In d(6)-benzene, the vibrational energy levels are less well separated and the vibrational structure is reduced to strong asymmetry of the main peak and a broad tail extending toward higher ionization energy. The recorded spectra are analyzed using first-principle and curve-fitting procedures. A theoretical model that allows for incomplete localization of the core hole, results in very good fits to the experimental spectra of both benzene and d(6)-benzene. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/322159
- author
- Myrseth Oltedal, Velaug LU ; Borve, KJ ; Wiesner, K ; Bässler, M LU ; Svensson, S and Saethre, LJ
- organization
- publishing date
- 2002
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Chemistry Chemical Physics
- volume
- 4
- issue
- 24
- pages
- 5937 - 5943
- publisher
- Royal Society of Chemistry
- external identifiers
-
- wos:000179558000004
- scopus:3042781176
- ISSN
- 1463-9084
- DOI
- 10.1039/b208160a
- language
- English
- LU publication?
- yes
- id
- fcca62d7-ddac-4e9f-b0e4-af6f586100b2 (old id 322159)
- date added to LUP
- 2016-04-01 16:21:06
- date last changed
- 2022-03-07 05:22:07
@article{fcca62d7-ddac-4e9f-b0e4-af6f586100b2,
abstract = {{Vibrationally resolved C1s photoelectron spectra of benzene and d(6)-benzene have been recorded using monochromated synchrotron radiation at photon energies of 330 eV. The spectrum of normal benzene displays considerable vibrational structure. Particularly noteworthy is the strong excitation of a combined CCH-bending and CC-stretching mode which splits the main peak into two well-defined maxima. In d(6)-benzene, the vibrational energy levels are less well separated and the vibrational structure is reduced to strong asymmetry of the main peak and a broad tail extending toward higher ionization energy. The recorded spectra are analyzed using first-principle and curve-fitting procedures. A theoretical model that allows for incomplete localization of the core hole, results in very good fits to the experimental spectra of both benzene and d(6)-benzene.}},
author = {{Myrseth Oltedal, Velaug and Borve, KJ and Wiesner, K and Bässler, M and Svensson, S and Saethre, LJ}},
issn = {{1463-9084}},
language = {{eng}},
number = {{24}},
pages = {{5937--5943}},
publisher = {{Royal Society of Chemistry}},
series = {{Physical Chemistry Chemical Physics}},
title = {{Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of benzene and deuterobenzene}},
url = {{http://dx.doi.org/10.1039/b208160a}},
doi = {{10.1039/b208160a}},
volume = {{4}},
year = {{2002}},
}