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Steric substituent constant Ω s based on molecular mechanics calculation. II. Directionally weighted steric constants and their application to the analysis of the steric course of reactions
Author(s) -
Akai Ikuo,
Kuroda ShinIchi,
Sakakibara Kazuhisa,
Hirota Minoru
Publication year - 1995
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610081205
Subject(s) - steric effects , chemistry , substituent , computational chemistry , steric factor , stereochemistry
The directionally weighted steric substituent constant Ω jk was introduced to evaluate the anisotropic steric hindrance effect to the reaction centre. The correlation of the rates with a series of directionally weighted Ω jk is useful for characterizing the feature of steric effect. The difference between the hydrolyses of carboxylic esters and carboxamides was shown by this method.