A HUCKEL MOLECULAR ORBITAL STUDY OF ELECTRONIC COUPLING IN BIFUNCTIONAL CATALYSIS

被引：18

作者：

GOLD, HJ

机构：

[1] Biomathematics Program, Department of Experimental Statistics, North Carolina State University, Raleigh

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1968年 / 90卷 / 13期

关键词：

D O I：

10.1021/ja01015a020

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In order to facilitate a study of the role of electronic coupling in bifunctional catalysis, a coupling index is defined as a linear combination of mutual perturbations between the functional groups. Comparison with the limited data available in the literature shows the index to be well correlated with the log of reactivity of various bifunctional catalysts. The relation to models of enzyme catalysis is briefly discussed. © 1968, American Chemical Society. All rights reserved.

引用

页码：3402 / &

共 11 条

[1]

BROWN JF, 1950, THESIS MASSACHUSETTS

[2]

BRUICE TC, 1966, BIOORG MECH, V1, P119

[3]

CLYDE DJ, 1966, MULTIVARIATE STATIST

[4] THE ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS .1. GENERAL THEORY [J].