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Resonance Raman intensity analysisof the excited‐state photochemical dynamicsof dimethyl 1,3‐dithiole‐2‐thione‐4,5‐dicarboxylate in the A‐band absorption
Author(s) -
Liu Bo,
Wu Bin,
Xu Jun,
Wu Zhangzhu,
Zhao Yanying,
Zheng Xuming,
Wang Huigang
Publication year - 2010
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.2580
Subject(s) - raman spectroscopy , chemistry , resonance (particle physics) , excited state , cyclohexane , fourier transform , photochemistry , infrared , analytical chemistry (journal) , absorption band , atomic physics , optics , organic chemistry , physics , quantum mechanics
Dimethyl 1,3‐dithiole‐2‐thione‐4,5‐dicarboxylate (DDTD) was synthesized and characterized using NMR, Fourier transform (FT)‐Raman, Fourier transform‐infrared (FT‐IR) and UV spectroscopies. Resonance Raman spectra (RRs) were obtained with 341.5, 354.7 and 368.9 nm excitation wavelengths and density functional calculations were carried out to elucidate the π (SCS) →π* (SCS) electronic transitions and the RRs of DDTD in cyclohexane solution. The RRs indicate that the Franck–Condon region photo dynamics have a multidimensional character with motion predominantly along the CS stretch and the CS symmetric stretch modes in the five‐member heterocycle. A preliminary resonance Raman intensity analysis was carried out and the results for DDTD were compared with previously reported results for 1,3‐dithiole‐2‐thione (DTT). Differences and similarities of the spectra in terms of molecular symmetry and electron density are also discussed. Copyright © 2010 John Wiley & Sons, Ltd.