CONFORMATIONALLY INDUCED ROTATION OF A MOLECULAR ELECTRONIC-TRANSITION MOMENT

Authors
JOIREMAN PW KROEMER RT PRATT DW SIMONS JP
Citation
Pw. Joireman et al., CONFORMATIONALLY INDUCED ROTATION OF A MOLECULAR ELECTRONIC-TRANSITION MOMENT, The Journal of chemical physics, 105(14), 1996, pp. 6075-6077
Citations number
17
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
105
Issue
14
Year of publication
1996
Pages
6075 - 6077
Database
ISI
SICI code
0021-9606(1996)105:14<6075:CIROAM>2.0.ZU;2-Y
Abstract
Rovibronic band contour analysis of the two S-1<-S-0 origin bands of 3 -phenyl-1-propionic acid has revealed a strong, conformationally depen dent rotation of the electronic transition moment in the molecular fra me. High level ab initio calculations confirm experimental observation s, which are attributed to symmetry breaking and ring-chain interactio ns. (C) 1996 American Institute of Physics.