Theoretical Studies on the Molecular Dependence of the Bond Dissociation after the Core Excitations. : CH3OCO(CH2)nCN, n=0,1,2

Journal of Electron Spectroscopy and Related Phenomena Volume 120 Issue 1-3 Page 137-148 published_at 2001-10
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Title ( eng )
Theoretical Studies on the Molecular Dependence of the Bond Dissociation after the Core Excitations. : CH3OCO(CH2)nCN, n=0,1,2
Creator
Mitani Masaki
Joyabu Masanori
Saito ko
Source Title
Journal of Electron Spectroscopy and Related Phenomena
Volume 120
Issue 1-3
Start Page 137
End Page 148
Abstract
Approximate theoretical normal and resonant Auger spectra for a series of methyl cyanoesters were calculated. To study the reported molecular dependence of the fragmentation patterns after the core excitations, a new measure, bond dissociation factor, was introduced. The site-selectivity and the state-specificity for a series of methyl cyanoesters are qualitatively explained.
Keywords
Site-specific bond dissociation
core excitation
Auger decay
bond dissociation factor
methyl cyanoester
molecular size dependency
NDC
Chemistry [ 430 ]
Language
eng
Resource Type journal article
Publisher
Elsevier
Date of Issued 2001-10
Rights
Copyright (c) 2001 Elsevier Ltd.
Publish Type Author’s Original
Access Rights open access
Source Identifier
[ISSN] 0368-2048
[DOI] 10.1016/S0368-2048(01)00318-8
[NCID] AA00697082
[DOI] http://dx.doi.org/10.1016/S0368-2048(01)00318-8 isVersionOf