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Citation: Zhao Wenyun, Liang Yingqiu, Zhang Gang, Xu Weiqing, Shen Cheng, Tian Yongchi, Zhang Zhigui. CRYSTAL RAMAN, INFRARED SPECTRA AND NORMAL COORDINATE CALCULATION OF DIBENZYL DISULPHIDE[J]. Acta Physico-Chimica Sinica, ;1986, 2(03): 234-242. doi: 10.3866/PKU.WHXB19860308 shu

CRYSTAL RAMAN, INFRARED SPECTRA AND NORMAL COORDINATE CALCULATION OF DIBENZYL DISULPHIDE

1.
Institute of Theoretical Chemistry, Jilin University, Changchun, China; Department of Chemistry, Jilin University, Changchun, China

Received Date: 4 June 1985
Available Online: 15 June 1986

Crystal Raman (40—3100 cm~(-1)), infrared (70—3100 cm~(-1)) spectra and depolarization ratios of some Raman bands of dibenzyl disulphide have been measured. In view of the specific oriention of dibenzyl disulphide molecules in crystal cell, the crystal can be considered approximately as a single molecule in crystal Raman experiment.
Normal coordinate analysis of the molecule has been carried out based on force field of benzene proposed by Pulay and that of sulphides given by Shimanouchi. Four force constants of S—S, S—C, SSC and SCC are proposed and refined by observed frequencies.
All vibration bands, from 180 to 3100 cm~(-1), of dibenzyl diulphide are assigned by comprehensive information of frequencies, in tensities of crystal Raman and infrared bands, depolarization ratios, normal coordinate calculation and empirical assignments of similar compounds.
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