ELECTRONIC-STRUCTURE OF TRANSITION-METAL COMPLEXES CONTAINING ORGANIC LIGANDS .2. LOW-ENERGY PHOTOELECTRON-SPECTRA AND AB-INITIO SCF-MO CALCULATIONS OF DIBENZENE CHROMIUM AND BENZENE CHROMIUM TRICARBONYL

被引：140

作者：

GUEST, MF

HILLIER, IH

HIGGINSON, BR

LLOYD, DR

机构：

[1] SRC ATLAS COMP LAB,CHILTON,DIDCOT,BERKSHIRE,ENGLAND

[2] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND

[3] UNIV BIRMINGHAM,DEPT CHEM,POB 363,BIRMINGHAM B15 2TT,ENGLAND

来源：

MOLECULAR PHYSICS | 1975年 / 29卷 / 01期

关键词：

D O I：

10.1080/00268977500100091

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：113 / 128

页数：16

共 28 条

[1] THEORETICAL TREATMENT OF ELECTRON DELOCALIZATION AND BONDING IN SOME PARAMAGNETIC BIS-ARENE COMPLEXES [J].

ANDERSON, SE ;

DRAGO, RS .

INORGANIC CHEMISTRY, 1972, 11 (07) :1564-&

[2]

ANDERSON SE, 1969, J AM CHEM SOC, V91, P3432

[3] GAUSSIAN-ORBITAL BASIS SETS FOR FIRST-ROW TRANSITION-METAL ATOMS [J].

BASCH, H ;

HORNBACK, CJ ;

MOSKOWITZ, JW .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (04) :1311-+

[4] MOLECULAR-ORBITAL THEORY OF ORGANOMETALLIC COMPOUNDS .V. FAR-INFRARED SPECTRA OF TRICARBONYLARENECHROMIUMS [J].

BROWN, DA ;

CARROLL, DG .

JOURNAL OF THE CHEMICAL SOCIETY, 1965, (APR) :2822-&

[5] MOLECULAR ORBITAL THEORY OF ORGANOMETALLIC COMPOUNDS .11. ELECTRONIC STRUCTURES OF TRICARBONYLARENEMETALS OF GROUP 6 [J].

BROWN, DA ;

RAWLINSO.RM .

JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (10) :1534-&

[6] SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS .V. ELECTRONIC STRUCTURE OF ARENECHROMIUM TRICARBONYLS AND CHROMIUM HEXACARBONYL [J].

CARROLL, DG ;

MCGLYNN, SP .

INORGANIC CHEMISTRY, 1968, 7 (07) :1285-&

[7] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].

CLEMENTI, E ;

RAIMONDI, DL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&

[8]

Connor J. A., 1974, Journal of the Chemical Society Faraday Transactions II, V70, P941, DOI 10.1039/f29747000941

[9] 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-&

[10]

DOMRACHE.GA, 1970, DOKL AKAD NAUK SSSR+, V194, P583

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