AN ANALYSIS OF THE BONDING IN SAME NONCLASSICAL D(0) AND D(10) METAL-CARBONYL-COMPLEXES

被引：18
|
作者：
LYNN, MA [1 ]
BURSTEN, BE [1 ]
机构：
[1] OHIO STATE UNIV, DEPT CHEM, COLUMBUS, OH 43210 USA
来源：
INORGANICA CHIMICA ACTA | 1995年 / 229卷 / 1-2期
基金：
美国国家科学基金会;
关键词：
METAL CARBONYL COMPLEXES; MOLECULAR ORBITAL CALCULATIONS; BACKBONDING;
D O I：
10.1016/0020-1693(94)04278-4
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The bonding in nonclassical carbonyl complexes, those with unusually high CO stretching frequencies, is analyzed via Fenske-Hall molecular orbital calculations. The systems analyzed include nonclassical carbonyl complexes of d(10) Ag(I) and of d(0) Zr(IV); these are compared to classical carbonyl complexes of Zr(II) and Mo(0). The Cotton-Kraihanzel CO-stretch force constants are correlated to the Mulliken populations of the 5 sigma and 2 pi molecular orbitals of the CO ligands.
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页码：437 / 443
页数：7
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