STRUCTURE AND COORDINATE BONDING NATURE OF NICKEL(O) AND COPPER(I) CARBON-DIOXIDE COMPLEXES - AN ABINITIO MOLECULAR-ORBITAL STUDY

被引：102

作者：

SAKAKI, S ^{[1
]}

KITAURA, K ^{[1
]}

MOROKUMA, K ^{[1
]}

机构：

[1] INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN

来源：

INORGANIC CHEMISTRY | 1982年 / 21卷 / 02期

关键词：

D O I：

10.1021/ic00132a057

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

页码：760 / 765

页数：6

共 38 条

[1] COUNTERINTUITIVE ORBITAL MIXING IN SEMI-EMPIRICAL AND ABINITIO MOLECULAR-ORBITAL CALCULATIONS [J].

AMMETER, JH ;

BURGI, HB ;

THIBEAULT, JC ;

HOFFMANN, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (12) :3686-3692

[2] NEW NICKEL-CARBON DIOXIDE COMPLEX - SYNTHESIS, PROPERTIES, AND CRYSTALLOGRAPHIC CHARACTERIZATION OF (CARBON DIOXIDE)-BIS(TRICYCLOHEXYLPHOSPHINE)NICKEL [J].

ARESTA, M ;

NOBILE, CF ;

ALBANO, VG ;

FORNI, E ;

MANASSERO, M .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1975, (15) :636-637

[3] (CARBON DIOXIDE)BIS(TRIALKYLPHOSPHINE)NICKEL COMPLEXES [J].

ARESTA, M ;

NOBILE, CF .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1977, (07) :708-711

[4] CARBON DIOXIDE TRANSITION METALS COMPLEXES .3. RHODIUM(I)-CO2 COMPLEXES [J].

ARESTA, M ;

NOBILE, CF .

INORGANICA CHIMICA ACTA, 1977, 24 (02) :L49-L50

[5] ELECTRONIC-STRUCTURE OF NI-ETHYLENE AND NI2-ETHYLENE CLUSTER COMPLEXES [J].

BASCH, H ;

NEWTON, MD ;

MOSKOWITZ, JW .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (02) :584-597

[6] REFINEMENT OF CRYSTAL STRUCTURE OF BIS(TRIPHENYLPHOSPHINE)(ETHYLENE)NICKEL [J].

CHENG, PT ;

COOK, CD ;

KOO, CH ;

NYBURG, SC ;

SHIOMI, MT .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1971, B 27 (OCT15) :1904-&

[7] MOLECULAR STRUCTURES AND PROTON MAGNETIC RESONANCE SPECTRA OF ETHYLENE COMPLEXES OF NICKEL AND PLATINUM [J].

CHENG, PT ;

COOK, CD ;

NYBURG, SC ;

WAN, KY .

INORGANIC CHEMISTRY, 1971, 10 (10) :2210-&

[8] ABINITIO THEORETICAL-STUDY OF BINDING OF ZNII WITH BIOLOGICALLY SIGNIFICANT LIGANDS - CO2, H2O, OH-, IMIDAZOLE, AND IMIDAZOLATE [J].

DEMOULIN, D ;

PULLMAN, A .

THEORETICA CHIMICA ACTA, 1978, 49 (02) :161-181

[9]

Dewar M. J. S., 1951, B SOC CHIM FR, pC79

[10] 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-+

← 1 2 3 4 →