Nucleophilic aromatic substitution for benzene derivatives: substituent rate factors from quantum chemical computations

Authors
Pankratov, AN
Citation
An. Pankratov, Nucleophilic aromatic substitution for benzene derivatives: substituent rate factors from quantum chemical computations, AFINIDAD, 58(492), 2001, pp. 137-140
Citations number
36
Categorie Soggetti
Chemistry
Journal title
AFINIDAD
ISSN journal
00019704 → ACNP
Volume
58
Issue
492
Year of publication
2001
Pages
137 - 140
Database
ISI
SICI code
0001-9704(200103/04)58:492<137:NASFBD>2.0.ZU;2-D
Abstract
The anionic localization energies (Lambda (-)) for the reaction of 1-chloro -2-nitro-4-substituted benzenes interaction with methoxide anion have been computed by the PM3 method. Substituent rate factors correlate linearly wit h the Lambda (-) values.