Laser-Induced Fluorescence Spectrum of 3-Vinyl-1H-indene

The laser-induced fluorescence spectrum of 3-vinyl-1H-indene was recorded between 33 000 and 33 800 cm-1. An origin band was observed at 33 455 cm-1 along with several low-frequency modes. With the aid of density functional theory and configuration interaction calculations, the electronic transition...

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Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2007-05, Vol.111 (17), p.3306-3312
Main Authors: Yin, Hong-Ming, Heazlewood, B. R, Stamford, N. P. J, Nauta, Klaas, Bacskay, G. B, Kable, S. H, Schmidt, T. W
Format: Article
Language:English
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Summary:The laser-induced fluorescence spectrum of 3-vinyl-1H-indene was recorded between 33 000 and 33 800 cm-1. An origin band was observed at 33 455 cm-1 along with several low-frequency modes. With the aid of density functional theory and configuration interaction calculations, the electronic transition was assigned as S1 ← S0 and the short progression in an 80 cm-1 mode was identified as a vinyl group torsion. Theoretical, spectroscopic, and thermochemical considerations suggest that the 3-vinyl-1H-indene spectrum results from excitation from both conformational isomers with the vinyl and indene double bonds in trans and cis arrangements. The results are discussed in the context of the identification of species arising from the discharge of benzene in argon.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp068844d