Molecular structure, vibrational spectra and normal coordinate analysis of S-methyl dithiocarbamate
1983; Elsevier BV; Volume: 99; Issue: 1-2 Linguagem: Inglês
10.1016/0022-2860(83)90163-1
ISSN1872-8014
AutoresR. Mattes, Lin Zhengyan, Martin Thunemann, H. Schnöckel,
Tópico(s)Nonlinear Optical Materials Research
ResumoAbstract The crystal structure of S -methyl dithiocarbamate (SMDTC) has been determined by single crystal X-ray diffraction. The IR spectra, matrix IR spectra and Raman spectra of SMDTC- d 0 , - d 2 and - d 3 have been measured between 4000 and 30 cm −1 . Raman spectra in solution and in the molten state have also been obtained. The assignments are supported from a normal coordinate analysis. In the solid state SMDTC exists as the E conformer. In solution and in the liquid state two conformers are found; in the matrix spectra only one, probably the E conformer, is observed.
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