PHOTOELECTRON-SPECTROSCOPY OF TRANSITION-METAL COMPLEXES

被引：33

作者：

HILLIER, IH

机构：

[1] Chemistry Department, University of Manchester

来源：

PURE AND APPLIED CHEMISTRY | 1979年 / 51卷 / 11期

关键词：

D O I：

10.1351/pac197951112183

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The use of ab initio molecular orbital calculations in the understanding of the low energy photoelectron spectra of transition metal complexes is discussed. The role of orbital relaxation and correlation effects are illustrated by considering carbonyl and arene complexes, and complexes having chromium and molybdenum multiple bonds, respectively. © 1979, Walter de Gruyter. All rights reserved.

引用

收藏

页码：2183 / 2195

页数：13

相关论文

共 27 条

[1] SATELLITE PEAKS IN HIGH-ENERGY PHOTOELECTRON SPECTRA OF SOME SMALL FIRST ROW MOLECULES - EXPERIMENTAL AND THEORETICAL STUDY [J].

AARONS, LJ ;

BARBER, M ;

GUEST, MF ;

HILLIER, IH ;

MCCARTNEY, JH .

MOLECULAR PHYSICS, 1973, 26 (05) :1247-1256

[2] THEORETICAL-STUDY OF ELECTRONIC-STRUCTURE OF FERROCENE AND FERRICINIUM - APPLICATION TO MOSSBAUER ISOMER-SHIFTS, IONIZATION-POTENTIALS, AND CONFORMATION [J].

BAGUS, PS ;

WALGREN, UI ;

ALMLOF, J .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2324-2334

[3]

Barber M, 1971, CHEM PHYS LETT, V9, P570, DOI 10.1016/0009-2614(71)85128-X

[4] A theoretical and experimental study of the electronic structure of PF3O and the ligand properties of PF3 [J].

Bassett, P. J. ;

Lloyd, D. R. ;

Hillier, I. H. ;

Saunders, Y. R. .

CHEMICAL PHYSICS LETTERS, 1970, 6 (04) :253-254

[5]

BERNARD M, 1977, NOUV J CHIM, V1, P97

[6]

COLEMAN AW, JCS DA

[7] ELECTRONIC-STRUCTURE OF TRANSITION-METAL COMPLEXES CONTAINING ORGANIC LIGANDS .1. LOW AND HIGH-ENERGY PHOTOELECTRON-SPECTRA AND AB-INITIO SCF-MO CALCULATIONS OF IRON TRICARBONYL BUTADIENE [J].

CONNOR, JA ;

DERRICK, LMR ;

HALL, MB ;

HILLIER, IH ;

GUEST, MF ;

HIGGINSO.BR ;

LLOYD, DR .

MOLECULAR PHYSICS, 1974, 28 (05) :1193-1205

[8] METAL-METAL BONDING IN [RE2X8]2- IONS AND OTHER METAL ATOM CLUSTERS [J].

COTTON, FA .

INORGANIC CHEMISTRY, 1965, 4 (03) :334-&

[9] EXISTENCE OF DIRECT METAL-TO-METAL BONDS IN DICHROMIUM TETRACARBOXYLATES [J].

COTTON, FA ;

STANLEY, GG .

INORGANIC CHEMISTRY, 1977, 16 (10) :2668-2671

[10] IONIZATION POTENTIALS OF FERROCENE AND KOOPMANS THEOREM - AB-INITIO LCAO-MO-SCF CALCULATION [J].

COUTIERE, M ;

VEILLARD, A ;

DEMUYNCK, J .

THEORETICA CHIMICA ACTA, 1972, 27 (04) :281-&