期刊
JOURNAL OF RAMAN SPECTROSCOPY
卷 41, 期 10, 页码 1185-1193出版社
WILEY-BLACKWELL
DOI: 10.1002/jrs.2580
关键词
resonance Raman spectroscopy; excited-state dynamics; intensity analysis; dimethyl 1,3-dithiole-2-thione-4,5-dicarboxylate; density functional calculations
类别
资金
- National Basic Research Program of China [2007CB815203]
- NSFC [20703038, 20803066]
- NSFZ [Y407245, R405465]
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 pi (S-C-S) -> pi* (S-C-S) 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 C=5 stretch and the C-S 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 (C) 2010 John Wiley & Sons, Ltd.
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