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Crystallographic study and molecular orbital calculations of 1,2,5-thiadiazole 1,1-dioxide derivatives

✍ Scribed by E. E. Castellano; O. E. Piro; J. A. Caram; M. V. Mirifico; S. L. Aimone; E. J. Vasini; M. D. Glossman

Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
528 KB
Volume
11
Category
Article
ISSN
0894-3230

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✦ Synopsis

Single-crystal x-ray diffraction studies are reported for 3,4-dimethyl (I), 3-methyl-4-phenyl (II) and 3,4-diphenyl (III) derivatives of 1,2,5-thiadiazole 1,1-dioxide. Ab initio MO calculations on the electronic structure, conformation and reactivity of I, II and III are also reported and compared with the x-ray results. The structural data are related to previous kinetic and electrochemical experimental results on these compounds.

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