ISSN:
1432-2234
Keywords:
Thiourea
;
Conjugated thiocarbonyl
;
Thioanalogs
;
Hydration of thiocarbonyls
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract SCFab initio computations have been performed on the structure, molecular potential and hydration scheme of thiourea in view of a comparison with urea and more generally as a model of the conjugated S=CNH-group as compared to O=CNH-. In contrast to the carbonyl oxygen, both σ and π acceptor, the sulfur atom of the thiocarbonyl is a σ donor but a π acceptor and this results in an enhancement of the double-bond character of thiourea. The CN bond is less attractive for a proton than urea. The hydration scheme indicates a maximum number of four water molecules directly bound to thiourea.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF02394619
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