Inner-valence ionization of molecular anions and ultrafast relaxation by electron emission

Citation
R. Santra et al., Inner-valence ionization of molecular anions and ultrafast relaxation by electron emission, CHEM P LETT, 324(5-6), 2000, pp. 416-422
Citations number
27
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
0009-2614 → ACNP
Volume
324
Issue
5-6
Year of publication
2000
Pages
416 - 422
Database
ISI
SICI code
0009-2614(20000714)324:5-6<416:IIOMAA>2.0.ZU;2-S
Abstract
Relaxation mechanisms following inner-valence ionization of CN- are investi gated using ab initio quantum chemistry methods. Due to a severe failure of the molecular orbital picture, there is a relatively large number of elect ronic states that are excited by ionization in the inner-valence regime. Mo st of these states are found to decay by electron emission, resulting in th e formation of vibrationally bound CN+. General conclusions can be drawn co ncerning larger molecular anions. (C) 2000 Published by Elsevier Science B. V.