APPLICATION OF MOLECULAR-ORBITAL THEORY TO TRANSITION-METAL COMPLEXES .2. CALCULATION OF ENTHALPIES OF ACTIVATION FOR DISSOCIATIVE PROCESSES

被引：39

作者：

MCKINNEY, RJ ^{[1
]}

PENSAK, DA ^{[1
]}

机构：

[1] DUPONT CO,EXPT STN,DEPT CENT RES & DEV,WILMINGTON,DE 19898

来源：

INORGANIC CHEMISTRY | 1979年 / 18卷 / 12期

关键词：

D O I：

10.1021/ic50202a025

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Molecular energies calculated with a modified extended Hückel theory are used to calculate enthalpies of activation and/or reaction for a number of dissociative processes involving transition metal carbonyl compounds. Metal-carbonyl, metal-hydride, and metal-metal bond dissociations are examined as well as the interaction of metal hydride with water to give M- + H3O+. The effects of a series of ligands, X, on cis CO labilization in MnX(CO)5 are examined and compared with similar calculations by other workers by use of the Fenske-Hall method. © 1979, American Chemical Society. All rights reserved.

引用

页码：3413 / 3417

页数：5

共 25 条

[1] METAL CARBONYLS .4. KINETICS OF REACTION OF MANGANESE PENTACARBONYL HALIDES WITH A VARIETY OF LIGANDS
ANGELICI, RJ
BASOLO, F
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (13) : 2495 - &
[2] CIS LABILIZATION OF LIGAND DISSOCIATION .3. SURVEY OF GROUP 6 AND 7 6-COORDINATE CARBONYL-COMPOUNDS - SITE PREFERENCE MODEL FOR LIGAND LABILIZATION EFFECTS
ATWOOD, JD
BROWN, TL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (11) : 3160 - 3166
[3] CIS LABILIZATION OF LIGAND DISSOCIATION .2. SUBSTITUTION AND CO-13 EXCHANGE-REACTIONS OF CIS MONOSUBSTITUTED MANGANESE AND RHENIUM CARBONYL BROMIDES
ATWOOD, JD
BROWN, TL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (11) : 3155 - 3159
[4] Brewer L., 1969, ADV HIGH TEMPERATURE, V2, P1
[5] MECHANISM OF SUBSTITUTION OF HYDRIDOPENTACARBONYL-MANGANESE .1.
BYERS, BH
BROWN, TL
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1977, 127 (02) : 181 - 192
[6] CHARACTERISTICS OF M(CO)5 AND RELATED METAL-CARBONYL RADICALS - ABSTRACTION AND DISSOCIATIVE AND OXIDATIVE ADDITION PROCESSES
BYERS, BH
BROWN, TL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (08) : 2527 - 2532
[7] Carbon Monoxide Insertion Reactions. I. The Carbonylation of Methyl Manganese Pentacarbonyl and Decarbonylation of Acetyl Manganese Pentacarbonyl
Calderazzo, Faust
Cotton, F. Albert
[J]. INORGANIC CHEMISTRY, 1962, 1 (01) : 30 - 36
[8] CONNOR JA, 1977, TOP CURR CHEM, V71, P71
[9] COTTON FA, 1972, ADV INORGANIC CHEM, P705
[10] DOBSON GR, 1971, INORG CHIM ACTA, V5, P199

← 1 2 3 →