NEW NIOBIUM COMPLEXES OF ALKYNES .5. ELECTRONIC-STRUCTURE AND BONDING IN THE TETRANUCLEAR COMPLEX OF NIOBIUM [NB4OCL8((PHC)4)2]2-

被引:4
作者
COTTON, FA [1 ]
FENG, XJ [1 ]
机构
[1] TEXAS A&M UNIV SYST,MOLEC STRUCT & BONDING LAB,COLLEGE STN,TX 77843
关键词
D O I
10.1021/ic00344a014
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Electronic structure and bonding in a newly prepared tetranuclear complex of niobium, [Nb4OClg{(PhC)4}2]2−, are discussed on the basis of molecular orbital calculations by the Fenske-Hall method. The anion consists of a planar, rectangular Nb4group with an oxygen atom at the center, and a C-shaped PhC-C(Ph)C(Ph)-CPh chain clasps each short Nb-Nb edge at the middle and lies in a plane perpendicular to the Nb4O plane. Our study has been mainly focused on the problems related to the unprecedented structural features of the anion, specifically, the Nb-Nb and Nb-O bonding, and the bonding of the C4Ph4unit to the metal atoms. The resulting bonding scheme gives a satisfactory account of the structure and is consistent with the assignment of a formal oxidation state of III to the metal atoms and the existence of strong bonds between the close pairs of metal atoms. © 1990, American Chemical Society. All rights reserved.
引用
收藏
页码:3697 / 3701
页数:5
相关论文
共 5 条
[1]   NEW NIOBIUM COMPLEXES WITH ALKYNES .2. TETRANUCLEAR COMPOUNDS WITH NB-NB BONDS, AN UNPRECEDENTED TYPE OF TETRACARBON LIGAND, AND OXYGEN IN A RECTANGULAR ENVIRONMENT [J].
COTTON, FA ;
SHANG, MY .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (04) :1584-1590
[2]   NEW NIOBIUM COMPLEXES WITH ALKYNES .1. MONONUCLEAR AND DINUCLEAR COMPLEXES [J].
COTTON, FA ;
SHANG, M .
INORGANIC CHEMISTRY, 1990, 29 (03) :508-514
[3]   REACTIONS OF NIOBIUM(III) AND TANTALUM(III) COMPOUNDS WITH ACETYLENES .2. PREPARATION AND STRUCTURE OF TA2CL4(MU-CL)2(MU-ME3CC=CCME3)(THF)2 - THE SHORTEST KNOWN TA-TA BOND [J].
COTTON, FA ;
HALL, WT .
INORGANIC CHEMISTRY, 1980, 19 (08) :2354-2356
[4]  
COTTON FA, UNPUB INORG CHEM
[5]   ELECTRONIC-STRUCTURE AND BONDING IN METHYL(PENTACARBONYL)MANGANESE AND PERFLUOROMETHYL(PENTACARBONYL)MANGANESE [J].
HALL, MB ;
FENSKE, RF .
INORGANIC CHEMISTRY, 1972, 11 (04) :768-&