On the determination of atomic charge via ESCA including application to organometallics

被引：207

作者：

Sleigh, C ^{[1
]}

Pijpers, AP ^{[1
]}

Jaspers, A ^{[1
]}

Coussens, B ^{[1
]}

Meier, RJ ^{[1
]}

机构：

[1] DSM RES BV, 6160 MD GELEEN, NETHERLANDS

来源：

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 1996年 / 77卷 / 01期

关键词：

atomic charge; electron spectroscopy for chemical analysis; organometal;

D O I：

10.1016/0368-2048(95)02392-5

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

A consistent set of relative atomic charges for several light elements has been obtained employing the semiempirical AM1 method. Following a method previously proposed by Folkesson and Larsson, linear relationships between charges and experimentally determined core-electron ESCA shifts obtained from model compounds were established. The relations revealed for metal ions allow subsequent characterisation of changes in the charge on metal ion sites, thereby enabling the study of the relation between metal ion charge and catalytic activity.

引用

页码：41 / 57

页数：17

共 57 条

[1]

ALLEN GC, 1973, J CHEM SOC DALTON, P1675

[2]

ANDERSSON SLT, 1979, J CATAL, V59, P340

[3] STUDIES BY ESCA OF SUPPORTED RHODIUM CATALYSTS RELATED TO ACTIVITY FOR METHANOL CARBONYLATION [J].