Relationship between H-D spin-spin coupling and internuclear distance in molecular hydrogen complexes

被引：38

作者：

Hush, NS ^{[1
]}

机构：

[1] UNIV SYDNEY,DEPT BIOCHEM,SYDNEY,NSW 2006,AUSTRALIA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1997年 / 119卷 / 07期

关键词：

D O I：

10.1021/ja963150b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

An essentially identical linear relationship between the spin-spin coupling constant J(HD) and internuclear separation r(HH) in closed-shell ''eighteen electron'' eta(2)-H-2 molecular hydrogen complexes is both predicted by quantum chemical calculations for complexes of the type [Os(II)(NH3)(4)L(eta(2)-H-2)] for a wide range of trans ligands L and found experimentally for a series of complexes of Fe, Cr, Ru, and Os, also containing a variety of ligands. Simple electronic structural considerations are proposed in order to provide a preliminary interpretation of these remarkable results.

引用

页码：1717 / 1719

页数：3

共 22 条

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