Steric substituent constant omega(s) based on molecular mechanics calculations .2. Directionally weighted steric constants and their application to the analysis of the steric course of reactions

被引：4

作者：

Akai, I ^{[1
]}

Kuroda, SI ^{[1
]}

Sakakibara, K ^{[1
]}

Hirota, M ^{[1
]}

机构：

[1] YOKOHAMA NATL UNIV,FAC ENGN,DEPT SYNTHET CHEM,HODOGAYA KU,YOKOHAMA,KANAGAWA 240,JAPAN

来源：

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY | 1995年 / 8卷 / 12期

关键词：

D O I：

10.1002/poc.610081205

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The directionally weighted steric substituent constant Omega(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 Omega(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.

引用

页码：791 / 798

页数：8

共 5 条

[1] Steric Substituent Constant es based on Molecular Mechanics Calculations. II Directionally Weighted Steric Constants and their Application to the Analysis of the Steric Course of Reactions
J Phys Org Chem, (791):
[2] A NEW STERIC SUBSTITUENT CONSTANT OMEGA-S BASED ON MOLECULAR MECHANICS CALCULATIONS
HIROTA, M
SAKAKIBARA, K
KOMATSUZAKI, T
AKAI, I
COMPUTERS & CHEMISTRY, 1991, 15 (03): : 241 - 248
[3] A NEW STERIC SUBSTITUENT CONSTANT OMEGA-S. CHARACTERISTIC FEATURE AND COMPARISON WITH SOME OTHER STERIC CONSTANTS
KOMATSUZAKI, T
AKAI, I
SAKAKIBARA, K
HIROTA, M
TETRAHEDRON, 1992, 48 (09) : 1539 - 1556
[4] THE DESIGN OF TOPOLOGICAL FRAMEWORK STRUCTURES OF ANALOGS CORRELATED TO ALPO4-5 IN THE ORTHORHOMBIC SYSTEM .2. THE CALCULATIONS FOR STERIC ENERGIES E(S) OF THE DESIGNED STRUCTURES BY MOLECULAR MECHANICS METHOD
XU, YH
LI, BZ
PANG, WQ
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 1995, 16 (01): : 17 - 21
[5] STATISTICAL STUDIES BETWEEN SUBSTITUENT CONSTANTS .11. IDENTITY OF THE HANCOCK EC-S CONSTANT OF CNH2N+1 SUBSTITUENTS AND ANALOGOUS PALM EO-S VALUES WITH STERIC EB PARAMETERS FOR THE INFLUENCE ON ALKALINE ESTER HYDROLYSIS
KRAMER, CR
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-LEIPZIG, 1989, 270 (04): : 713 - 720

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