NMR (1H, 13C) and MO (ab initio, CNDO/2, EHT) studies on basic and N-protonated hydrazinecarbothioamide
Data(s) |
01/12/1982
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Resumo |
The conformational preferences of hydrazinecarbothioamide (HCTA, H2NNHCSNH2) in its basic and N-protonated (PHCTA, H3NNNHCSNH2) forms have been studied by 1H and 13C NMR spectroscopy and by theoretical LCAO-MO methods (ab initio, CNDO/2 and EHT). The hindered rotation around the C---N bond has been investigated by a total line shape analysis for the thioamide protons and by the three MO methods. Changes in the molecular conformation and electronic structure on protonation are briefly discussed. |
Formato |
application/pdf |
Identificador |
http://eprints.iisc.ernet.in/20148/1/fulltext.pdf Manogaran, S and Sathyanarayana, DN (1982) NMR (1H, 13C) and MO (ab initio, CNDO/2, EHT) studies on basic and N-protonated hydrazinecarbothioamide. In: Journal of Molecular Structure, 96 (1-2). pp. 73-79. |
Publicador |
Elsevier Science |
Relação |
http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TGS-4933SKP-B&_user=512776&_rdoc=1&_fmt=&_orig=search&_sort=d&_docanchor=&view=c&_acct=C000025298&_version=1&_urlVersion=0&_userid=512776&md5=9cf06f8ff102d76d7b6238a3f17ca9d8 http://eprints.iisc.ernet.in/20148/ |
Palavras-Chave | #Inorganic & Physical Chemistry |
Tipo |
Journal Article PeerReviewed |