SYNTHESIS ON THE BASIS OF ELECTROGENERATED CARBENES .10. CORRELATION OF THE ENERGETICS OF ALPHA-ELIMINATION AND NUCLEOPHILIC-SUBSTITUTION BASED ON THE RESULTS OF QUANTUM-CHEMICAL CALCULATIONS

Authors
MACHKAROVSKAYA IA BURSHTEIN KY PETROSYAN VA
Citation
Ia. Machkarovskaya et al., SYNTHESIS ON THE BASIS OF ELECTROGENERATED CARBENES .10. CORRELATION OF THE ENERGETICS OF ALPHA-ELIMINATION AND NUCLEOPHILIC-SUBSTITUTION BASED ON THE RESULTS OF QUANTUM-CHEMICAL CALCULATIONS, Russian chemical bulletin, 44(11), 1995, pp. 2060-2063
Citations number
13
Categorie Soggetti
Chemistry
Journal title
Russian chemical bulletin → ACNP
ISSN journal
10665285
Volume
44
Issue
11
Year of publication
1995
Pages
2060 - 2063
Database
ISI
SICI code
1066-5285(1995)44:11<2060:SOTBOE>2.0.ZU;2-1
Abstract
On the base of the semi-empirical MNDO, AM1, and PM3 methods of calcul ation, the reactivities of halomethane anions in alpha-eliminations an d S(N)2 reactions with participation of the initial polyhalomethanes h ave been compared and the dependence of the reactivity on the number o f halogen atoms and solvent polarity has been investigated. The possib ility of proton transfer when the initial polyhalomethane is C-H-acid has been also discussed.