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Vibrational (i.r. and Raman) spectra and conformational studies of 1-formyl-3-thiosemicarbazide

Authors
Journal
Spectrochimica Acta Part A Molecular Spectroscopy
0584-8539
Publisher
Elsevier
Publication Date
Volume
44
Issue
7
Identifiers
DOI: 10.1016/0584-8539(88)80133-8

Abstract

Abstract The i.r. and Raman spectra (30–4000 cm −1) of 1-formyl-3-thiosemicarbazide (FTSC) and deuterated ftsc- d 4, have been studied. Most of the vibration modes reveal pairs of bands and show strong temperature dependence. A band group {ν(NNH 2)} at ∼ 1100 cm −1 exhibits well resolved doublet (1095 and 1112 cm −1) structure below 100 k. The intensity in the 11 12 cm −1 band decreases regularly (band disappears at 150 K) with the rise in temperature. Two new bands at 955 and 1070 cm −1 appear while measured above 400 K. The system eventually exists in several conformers in simultaneous equilibria. Moreover, a few bands {e.g. ν(CO), ν(CS) and ν(CH)} that show strong intensifies in i.r. exhibit weak (or zero) intensifies in the Raman and vice-versa. The features (characteristic of u and g vibration species) could be explained by a C 2 h pseudo symmetry space group proposed for the system. Both the FTSC and FTSC- d 4 represent strong molecular associations. This favours the maximum abundance in the dimer stabilized conformers.

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