Steric effects on dinitrogen cleavage by three-coordinate molybdenum(III) complexes: A molecular mechanics study

被引：31

作者：

Hahn, J

Landis, CR

Nasluzov, VA

Neyman, KM

Rosch, N

机构：

[1] TECH UNIV MUNICH, LEHRSTUHL THEORET CHEM, D-85747 GARCHING, GERMANY

[2] UNIV WISCONSIN, DEPT CHEM, MADISON, WI 53706 USA

[3] RUSSIAN ACAD SCI, INST CHEM NAT ORGAN MAT, KRASNOYARSK 660049, RUSSIA

来源：

INORGANIC CHEMISTRY | 1997年 / 36卷 / 18期

关键词：

D O I：

10.1021/ic961466e

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The universal force field approach is used to investigate the steric demand in nitrogen molecule cleavage by three-coordinate molybdenum complexes MoL3 of different ligand types L (L = NH2, NMe2, N(mesityl)(tert-butyl), O(tert-butyl), Me, tert-butyl, neopentyl). Calculated geometries of the intermediates L3Mo-N-2-MoL3, of the products L3MoN, and of the undersirable side product dimers L3MoMoL3 are presented. The primary role of ligand sterics appears to be the prevention of dimerization of MoL3 monomers.

引用

页码：3947 / 3951

页数：5

共 20 条

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