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Title
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Theoretical, structural, vibrational, NMR, and thermal evidence of the inter- versus intramolecular hydrogen bonding in oxamides and thiooxamides
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Author
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Abstract
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| This contribution describes the study of hydrogen bonding in secondary oxamides, monothiooxamides, and dithiooxamides by ab initio calculations, X-ray diffractions, NMR spectra, thermal analysis, and variable-temperature infrared and Raman spectroscopy. The results can all be interpreted as a function of the change in the strength and the nature of the hydrogen bonding by substituting oxygen for sulfur in the series CH3-HNCOCONHCH3, CH3HNCSCONHCH3, CH3HNCSCSNHCH3 and by changing the steric influence of the alkyl group in a series of oxamides (RHNCOCNHR; R = CH3, C2H5, iC(3)H(7), tC(4)H(9)). |
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Language
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English
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Source (journal)
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The journal of physical chemistry : A : molecules, spectroscopy, kinetics, environment and general theory. - Washington, D.C., 1997, currens
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Publication
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Washington, D.C.
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2004
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ISSN
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1089-5639
[print]
1520-5215
[online]
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DOI
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10.1021/JP0401776
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Volume/pages
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108
:24
(2004)
, p. 5175-5182
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ISI
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000221965300007
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Full text (Publisher's DOI)
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