THE THIENO[2,3-C][1,2,5]OXADIAZOLE 1-OXIDE THIENO[2,3-C]-[1,2,5]OXADIAZOLE 3-OXIDE EQUILIBRIUM - A COMPUTATIONAL STUDY

Authors
FRIEDRICHSEN W
Citation
W. Friedrichsen, THE THIENO[2,3-C][1,2,5]OXADIAZOLE 1-OXIDE THIENO[2,3-C]-[1,2,5]OXADIAZOLE 3-OXIDE EQUILIBRIUM - A COMPUTATIONAL STUDY, Journal of chemical research. Synopses, (4), 1995, pp. 120-120
Citations number
29
Categorie Soggetti
Chemistry
Journal title
Journal of chemical research. Synopses → ACNP
ISSN journal
03082342
Issue
4
Year of publication
1995
Pages
120 - 120
Database
ISI
SICI code
0308-2342(1995):4<120:TT1T>2.0.ZU;2-1
Abstract
The equilibrium between thieno[2,3-c][1,2,5]oxadiazole 1-oxide (3) and thieno[2,3-c][1,2,5]oxadiazole 3-oxide (7) and the structures of seve ral 2,3-dinitrosothiophenes have been investigated by quantum chemical ab initio methods and the results found to be in agreement with exper imental data; some semiempirical calculations on 3, 7 and their 5-meth oxycarbonyl derivatives 10 and 11 are also reported.