Evidence for actinide metal to ligand π backbonding.: Density functional investigations of the electronic structure of [{(NH2)3(NH3)U}2(μ2-η2:η2-N2)]

被引：46

作者：

Kaltsoyannis, N

Scott, P

机构：

[1] Univ London Univ Coll, Ctr Theoret & Computat Chem, London WC1H 0AJ, England

[2] Univ Warwick, Dept Chem, Coventry CV4 7AL, W Midlands, England

来源：

CHEMICAL COMMUNICATIONS | 1998年 / 16期

关键词：

D O I：

10.1039/a803833c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The electronic structure of [ {(NH2)(3)(NH3)U}(2)(mu(2)-eta(2):eta(2)-N-2)], a model for the first dinitrogen compound of an actinide, is investigated computationally using quasi-relativistic nonlocal density functional theory; the only significant U-N-2-U interaction is found to be U-->N-2 pi backbonding.

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页码：1665 / 1666

页数：2

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