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Vibrational spectra of CO2-electron donor-acceptor complexes from ab initio

Authors :
Danten, Y.
Tassaing, T.
Besnard, M.
Source :
Journal of Physical Chemistry A. Dec 5, 2002, Vol. 106 Issue 48, p11831, 10 p.
Publication Year :
2002

Abstract

The 1:1 electron donor-acceptor complexes of CO2 formed with alcohols, methanol and ethanol, and with acetone in context of ab initio calculations are examined. The division of the v(sub 2) bending mode of CO2 and v(sub s)(OH) stretching mode of alcohols or the anti symmetric v(sub a)(CCC) and symmetric v(sub s)(CO) stretching modes of acetone are highlighted.

Details

Language :
English
ISSN :
10895639
Volume :
106
Issue :
48
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.122767108