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Assignment of fundamental vibrations of. ,N'-dimethylthiourea,

Devi, Kolar Ramakrishnaiaa Gayathri and Sathyanarayana, Dixit Narayanarao (1980) Assignment of fundamental vibrations of. ,N'-dimethylthiourea,. In: Bulletin of the Chemical Society of Japan, 53 (10). pp. 2990-2994.

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The infrared spectra of symmetric N,N′-dimethylthiourea (s-DMTU) and its N-deuterated (s-DMTU-d2) species have been measured. The fundamental frequencies have been assigned by comparison with the assignments in structurally related molecules and the infrared band shifts on N-deuteration, S-methylation, available Raman data and with the aid of theoretical band assignments from normal coordinate treatments for s-DMTU-d0 and -d2. A force field is derived for s-DMTU by transferring the force constants chiefly from N-methylthiourea and the subsequent refinement of the force constants by a least squares procedure.

Item Type: Journal Article
Publication: Bulletin of the Chemical Society of Japan
Publisher: The Chemical Society of Japan
Additional Information: Copyright of this article belongs to the Chemical Society of Japan.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 27 May 2009 12:12
Last Modified: 19 Sep 2010 05:32
URI: http://eprints.iisc.ac.in/id/eprint/20378

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