TY - JOUR
T1 - Vibrationally resolved C and O 1s photoelectron spectra of carbon dioxide
AU - Hatamoto, T.
AU - Matsumoto, M.
AU - Liu, X. J.
AU - Ueda, K.
AU - Hoshino, M.
AU - Nakagawa, K.
AU - Tanaka, T.
AU - Tanaka, H.
AU - Ehara, M.
AU - Tamaki, R.
AU - Nakatsuji, H.
N1 - Funding Information:
The experiment was carried out with the approval of the SPring-8 program review committee. This study was supported by a Grant for Creative Scientific Research from the Ministry of Education, Science, Culture, and Sports of Japan and by Grants-in-Aid for Scientific Research from the Japanese Society for the Promotion of Science (JSPS). XJL acknowledges financial support by JSPS.
PY - 2007/3
Y1 - 2007/3
N2 - Vibrationally resolved C 1s and O 1s photoelectron spectra of carbon dioxide have been measured with photon energies up to 500 and 700 eV, respectively. Vibrational branching ratios are nearly constant for the C 1s and O 1s photoelectron spectra recorded with the photon energies in the regions 400-500 and 600-700 eV, respectively, where neither shape resonance effect nor photoelectron recoil effect is significant. The information about the potential curves for the C 1s and O 1s ionized states are extracted from these spectra, using the Franck-Condon approximation. The experimental potential curves thus obtained are well reproduced by the present ab initio calculations based on the symmetry adapted cluster-configuration interaction (SAC-CI) method.
AB - Vibrationally resolved C 1s and O 1s photoelectron spectra of carbon dioxide have been measured with photon energies up to 500 and 700 eV, respectively. Vibrational branching ratios are nearly constant for the C 1s and O 1s photoelectron spectra recorded with the photon energies in the regions 400-500 and 600-700 eV, respectively, where neither shape resonance effect nor photoelectron recoil effect is significant. The information about the potential curves for the C 1s and O 1s ionized states are extracted from these spectra, using the Franck-Condon approximation. The experimental potential curves thus obtained are well reproduced by the present ab initio calculations based on the symmetry adapted cluster-configuration interaction (SAC-CI) method.
KW - Ab initio
KW - Carbon dioxide
KW - Core-level
KW - Photoelectron spectroscopy
KW - SAC-CI
KW - Synchrotron radiation
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U2 - 10.1016/j.elspec.2006.10.002
DO - 10.1016/j.elspec.2006.10.002
M3 - Article
AN - SCOPUS:33847671811
VL - 155
SP - 54
EP - 57
JO - Journal of Electron Spectroscopy and Related Phenomena
JF - Journal of Electron Spectroscopy and Related Phenomena
SN - 0368-2048
IS - 1-3
ER -