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Electronic signatures of large amplitude motions: Dipole moments of vibrationally excited local-bend and local-stretch states of [S.sub.0] acetylene

Authors :
Wong, Bryan M.
Steeves, Adam H.
Field, Robert W.
Source :
Journal of Physical Chemistry B. Sept 28, 2006, Vol. 110 Issue 38, 18912-18920
Publication Year :
2006

Abstract

A one-dimensional local bend model is used to describe the variation of electronic properties of acetylene in vibrational levels that embody large amplitude local motion on the [S.sub.] potential energy surface. The use of a one-dimensional model for the local bend is justified by comparison to the well-established polyad model which reveals a decoupling of the large amplitude bending from other degrees of freedom in the range of [N.sub.bend] = 14-22.

Details

Language :
English
ISSN :
15206106
Volume :
110
Issue :
38
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
edsgcl.154023090