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Infrared Spectra and Conformation of N-Acetylthiourea

Aruna, Srinivasan and Shanmugam, Guruswamy and Manogaran, Sadasivam and Sathyanarayana, DN (1982) Infrared Spectra and Conformation of N-Acetylthiourea. In: Bulletin of the Chemical Society of Japan, 55 (11). pp. 3612-3616.

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Infrared spectra of N-acetylthiourea (ATU) and its N,N,N′-trideuterated compound have been examined in the range 4000–50 cm−1. A complete vibrational assignment with a normal coordinate treatment based on a Urey-Bradley type intramolecular potential function supplemented with valence force function for the out of plane and torsional modes is proposed and the feature of the thioureido vibrations explained. A molecular orbital study by the CNDO/2 method of ATU and its oxygen analog is undertaken and the results are analyzed for a comparative study of the molecular electronic structure and conformation.

Item Type: Journal Article
Publication: Bulletin of the Chemical Society of Japan
Publisher: Chemical Society of Japan
Additional Information: Copyright of this article belongs to Chemical Society of Japan.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 25 Aug 2009 07:05
Last Modified: 19 Sep 2010 05:32
URI: http://eprints.iisc.ac.in/id/eprint/20204

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