SYNTHESIS AND STRUCTURE OF (C5H4CH3)TA(SPH)4 AND AN EHMO ANALYSIS OF ITS DISTORTED 4-LEGGED PIANO-STOOL STRUCTURE

被引：19

作者：

CURNOW, OJ

CURTIS, MD

RHEINGOLD, A

HAGGERTY, BS

机构：

[1] UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109

[2] UNIV DELAWARE,DEPT CHEM,NEWARK,DE 19716

来源：

INORGANIC CHEMISTRY | 1991年 / 30卷 / 21期

关键词：

D O I：

10.1021/ic00021a014

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Reaction of (eta-5-C5H4Me)TaCl4 with 4 equiv of NaSPh at -78-degrees-C gave (eta-5-C5H4Me)Ta(SPh)4 (1). Single-crystal X-ray crystallography showed the molecule to have a distorted four-legged piano-stool structure with two Cp'-Ta-S angles averaging 117.2-degrees and the other two averaging 104.1-degrees. EHMO calculations on (C5H5)Ta(SH)4 showed the distortion to be largely electronic in nature as well as showing that cis-ligand interaction in CpML4 complexes cannot be ignored. The Cp-M interaction also has an effect on Cp-M-L angles. Crystal data for 1: space group P1BAR; Z = 2; a = 9.817 (3), b = 10.458 (3), c = 15.612 (4) angstrom; alpha = 78.78 (2), beta = 71.98 (2), gamma = 67.59 (2)-degrees; V = 1404.0 (6) angstrom 3; R = 4.22 R(w) = 4.30 based on 4154 reflections with F(o) greater-than-or-equal-to 5-sigma(F(o)).

引用

页码：4043 / 4047

页数：5

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