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On the nature of the lowest excited states of styrene: Calculation of the resonance Raman spectrum and pre‐resonance profiles
Author(s) -
Marconi G.
Publication year - 1983
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250140108
Subject(s) - raman spectroscopy , resonance (particle physics) , excited state , chemistry , diagonal , atomic physics , nuclear magnetic resonance , molecular physics , physics , quantum mechanics , geometry , mathematics
The nature of the low‐lying excited single states of styrene has been investigated through calculation of the resonance Raman spectrum and pre‐resonance Raman profiles of the three modes of CC stretching nature. A reasonable agreement with experiment is found and an analysis of the main contributions to the intensity is provided in terms of vibronic matrix elements. The possibility of destructive interference of diagonal and off‐diagonal terms is analysed for the three modes examined.