VALENCE ELECTRON MOMENTUM DISTRIBUTIONS IN CR(CO)6 FROM (E,2E) SPECTROSCOPY AND SCF-MO CALCULATIONS

被引：12

作者：

CHORNAY, DJ

COPLAN, MA

TOSSELL, JA

MOORE, JH

BAERENDS, EJ

ROZENDAAL, A

机构：

[1] UNIV MARYLAND,INST PHYS SCI & TECHNOL,COLLEGE PK,MD 20742

[2] UNIV MARYLAND,DEPT CHEM,COLLEGE PK,MD 20742

[3] FREE UNIV AMSTERDAM,SUBFAC SCHEIKUNDE,VAKGRP ANORGAN & THEORET CHEM,1081 HV AMSTERDAM,NETHERLANDS

来源：

INORGANIC CHEMISTRY | 1985年 / 24卷 / 06期

关键词：

D O I：

10.1021/ic00200a016

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

页码：877 / 882

页数：6

共 38 条

[1] ELECTRONIC-STRUCTURE OF TRANSITION-METAL CARBONYL-COMPLEXES - COMPARISON OF HARTREE-FOCK-SLATER CALCULATIONS WITH UV PHOTOELECTRON-SPECTRA AND IR AND RAMAN DATA [J].

BAERENDS, EJ ;

ROS, P .

MOLECULAR PHYSICS, 1975, 30 (06) :1735-1747

[2]

BAERENDS EJ, COMMUNICATION

[3] RELATIONSHIP OF X-RAY FORM FACTOR TO 1-MATRIX IN MOMENTUM SPACE [J].

BENESCH, R .

CHEMICAL PHYSICS LETTERS, 1971, 10 (02) :151-&

[4] X-ALPHA-SW STUDIES OF METAL-LIGAND BACK-BONDING IN METAL-CARBONYLS - 2-PI OR NOT 2-PI [J].

BURSTEN, BE ;

FREIER, DG ;

FENSKE, RF .

INORGANIC CHEMISTRY, 1980, 19 (06) :1810-1811

[5] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[6] FACTORIZED DISTORTED-WAVE APPROXIMATION FOR (E,2E) REACTION ON ATOMS - NONCOPLANAR SYMMETRIC [J].

DIXON, AJ ;

MCCARTHY, IE ;

NOBLE, CJ ;

WEIGOLD, E .

PHYSICAL REVIEW A, 1978, 17 (02) :597-603

[7]

DUPUIS M, QG01 PROGR, V1

[8] BONDING CAPABILITIES OF TRANSITION-METAL CARBONYL FRAGMENTS [J].

ELIAN, M ;

HOFFMANN, R .

INORGANIC CHEMISTRY, 1975, 14 (05) :1058-1076

[9] CONFIGURATION-INTERACTION CALCULATIONS OF THE O1S SATELLITE SPECTRUM OF CR(CO)6 [J].

FORD, PC ;

HILLIER, IH ;

POPE, SA ;

GUEST, MF .

CHEMICAL PHYSICS LETTERS, 1983, 102 (06) :555-557

[10] NEGATIVE-ION STATES OF D6 TRANSITION-METAL HEXACARBONYLS [J].

GIORDAN, JC ;

MOORE, JH ;

TOSSELL, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (22) :6632-6636

← 1 2 3 4 →