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Vibrational Spectra and Normal Coordinate Analysis of N-Methyl Thiourea

Dwarakanath, K and Sathyanarayana, DN (1979) Vibrational Spectra and Normal Coordinate Analysis of N-Methyl Thiourea. In: Bulletin of the Chemical Society of Japan, 52 (7). pp. 2084-2087.

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Abstract

The infrared spectra of N-methylthiourea (NMTU) and its N-deuterated and S-methylated species were measured. Assignment of the infrared and Raman spectra of NMTU has been accomplished by correlation with thiourea and by use of infrared band shifts on N-deuteration as well as S-methylation. Normal coordinate analysis was performed for all the fundamentals of NMTU and NMTU-d3, the assignments obtained from the force field calculations being discussed in relation to those in other related thioureas and thioamides. The potential barriers to the internal rotations for the �NH2, �CH3, and �CN groups were estimated from the force constants.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Chemical Society of Japan.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 28 Dec 2010 06:40
Last Modified: 28 Dec 2010 06:40
URI: http://eprints.iisc.ernet.in/id/eprint/33778

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