THEORETICAL-STUDY OF CIS-3,6-DIMETHOXY-1,2,4,5-TETROXANE AND TRANS-3,6-DIMETHOXY-1,2,4,5-TETROXANE MOLECULE

Authors
JORGE N PERUCHENA N CAFFERATA LFR CASTRO EA
Citation
N. Jorge et al., THEORETICAL-STUDY OF CIS-3,6-DIMETHOXY-1,2,4,5-TETROXANE AND TRANS-3,6-DIMETHOXY-1,2,4,5-TETROXANE MOLECULE, Journal of molecular structure. Theochem, 433, 1998, pp. 311-317
Citations number
31
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
433
Year of publication
1998
Pages
311 - 317
Database
ISI
SICI code
0166-1280(1998)433:<311:TOCAT>2.0.ZU;2-#
Abstract
Results of a theoretical study of cis- and trans-3,6-dimethoxy- 1,2,4, 5-tetroxane molecules are presented. The different electronic and ster ic factors which determine the most stable molecular configurations ar e discussed. We resort to the semiempirical AMl and PM3 methods to obt ain the lowest energy isomers and the most characteristic geometrical parameters for them are given. (C) 1998 Elsevier Science B.V. All righ ts reserved.