STRUCTURE OF THE 1 1 CHLORINE-ETHYLENE COMPLEX IN MEDIA OF DIFFERENT POLARITY - QUANTUM-CHEMICAL AM1 STUDY/

Authors
SMIRNOV VV TIKHOMIROV VA CHUDINOV GE
Citation
Vv. Smirnov et al., STRUCTURE OF THE 1 1 CHLORINE-ETHYLENE COMPLEX IN MEDIA OF DIFFERENT POLARITY - QUANTUM-CHEMICAL AM1 STUDY/, Journal of structural chemistry, 34(4), 1993, pp. 501-504
Citations number
21
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
34
Issue
4
Year of publication
1993
Pages
501 - 504
Database
ISI
SICI code
0022-4766(1993)34:4<501:SOT11C>2.0.ZU;2-Z
Abstract
Chlorine-ethylene complexes in the gas phase and in highly polar and n onpolar solvents have been calculated by the semiempirical AMI method using the continuum model of solvent. The calculated complex has an ax ial structure. The solvent, including a nonpolar one, additionally sta bilizes the complex as compared to that in the gas phase. The calculat ed stabilization energy is in agreement with experimental data.