AN ABINITIO MO STUDY ON STABILIZING INTERACTIONS IN DINUCLEAR ZR/AL COMPLEXES WITH A PLANAR TETRACOORDINATE CARBON CENTER

被引：41

作者：

GLEITER, R ^{[1
]}

HYLAKRYSPIN, I ^{[1
]}

NIU, SQ ^{[1
]}

ERKER, G ^{[1
]}

机构：

[1] UNIV MUNSTER,INST ORGAN CHEM,W-4400 MUNSTER,GERMANY

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1993年 / 32卷 / 05期

关键词：

D O I：

10.1002/anie.199307541

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Steric effects do not account for the stability of compounds like 1. which contain a planar four-coordinate carbon atom: rather the electronic interaction of the low-lying empty Zr 4d orbitals with a high-lying sigma orbital of the distorted ethylene unit is the primary stabilizing effect. This is the result of calculations with a minimal basis set on model systems, X = H, Cl.

引用

页码：754 / 756

页数：3

共 29 条

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