TITLE

A theoretical study on ionization of ethylene with analysis of vibrational structure of the photoelectron spectra

AUTHOR(S)
Takeshita, Kouichi
PUB. DATE
August 1991
SOURCE
Journal of Chemical Physics;8/1/1991, Vol. 95 Issue 3, p1838
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Ab initio calculations have been performed to study the vibrational levels of the low-lying ionic states, 2B3u , 2B3g, 2Ag, 2B2u, and 2B1u of ethylene. The equilibrium molecular structure and vibrational modes of these states are presented. The theoretical ionization intensity curve including the vibrational structure is also presented and compared with the photoelectron spectra of C2H4 and C2D4. A number of new assignments of the photoelectron spectra are proposed.
ACCESSION #
7608976

 

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