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|
|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|
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