Theoretical studies on the molecular dependence of the bond dissociation after the core excitations. CH3OCO(CH2)(n)CN, n=0, 1, 2

Authors
Takahashi, O Mitani, M Joyabu, M Saito, K Iwata, S
Citation
O. Takahashi et al., Theoretical studies on the molecular dependence of the bond dissociation after the core excitations. CH3OCO(CH2)(n)CN, n=0, 1, 2, J ELEC SPEC, 120(1-3), 2001, pp. 137-148
Citations number
26
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
ISSN journal
03682048 → ACNP
Volume
120
Issue
1-3
Year of publication
2001
Pages
137 - 148
Database
ISI
SICI code
0368-2048(200110)120:1-3<137:TSOTMD>2.0.ZU;2-L
Abstract
Approximate theoretical normal and resonant Auger spectra for a series of m ethyl cyanoesters; were calculated. To study the reported molecular depende nce of the fragmentation patterns after the core excitations, a new measure , bond dissociation factor, was introduced. The site-selectivity and the st ate-specificity for a series of methyl cyanoesters are qualitatively explai ned. (C) 2001 Elsevier Science BV All rights reserved.