Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9585436 | Journal of Electron Spectroscopy and Related Phenomena | 2005 | 7 Pages |
Abstract
Shake-up satellite spectra accompanying the C 1s and O 1s photoelectron main lines of formaldehyde were studied by the combination of high-resolution X-ray photoelectron spectroscopy and accurate ab initio calculations. The symmetry adapted cluster-configuration interaction (SAC-CI) general-R method finely reproduced the details of the experimental spectra and enabled quantitative assignments for the seven satellite bands: some were newly interpreted. The shake-up transitions were mainly attributed to the valence excitations accompanying the inner-shell ionization. The Rydberg excitations were found to be minor. Three-electron processes such as 1sâ1nâ2Ï*2 and 1sâ1Ïâ2Ï*2 were predicted in the low-energy region where the valence shake-up states such as 1sâ1n-Ï*, Ï-Ï* exist.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
K. Kuramoto, M. Ehara, H. Nakatsuji, M. Kitajima, H. Tanaka, A. De Fanis, Y. Tamenori, K. Ueda,