FIRST-PRINCIPLES INTERPRETATION OF LIGAND ELECTROCHEMICAL (E(L)(L)) PARAMETERS - FACTORIZATION OF THE SIGMA-DONOR AND PI-DONOR AND PI-ACCEPTOR CAPABILITIES OF LIGANDS

被引：73

作者：

FIELDER, SS ^{[1
]}

OSBORNE, MC ^{[1
]}

LEVER, ABP ^{[1
]}

PIETRO, WJ ^{[1
]}

机构：

[1] YORK UNIV,DEPT CHEM,N YORK,ON M3J 1P3,CANADA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1995年 / 117卷 / 26期

关键词：

D O I：

10.1021/ja00131a022

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The ligand electrochemical series, E(L)(L), has been developed for many hundreds of ligands, and provides an accurate prediction of metal-centered redox potentials for coordination complexes. Semiempirical methods are used in conjunction with second-order perturbation theory to provide a new method to factorize the E(L)(L) parameter and extract a new and general measure of the sigma- and pi-donating and pi-accepting properties of a ligand.

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收藏

页码：6990 / 6993

页数：4

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