Distance and scalar HH-Coupling correlations in transition metal dihydrides and dihydrogen complexes

被引：68

作者：

Gründemann, S

Limbach, HH

Buntkowsky, G

Sabo-Etienne, S

Chaudret, B

机构：

[1] Free Univ Berlin, Inst Organ Chem, D-14195 Berlin, Germany

[2] CNRS, Chim Coordinat Lab, UP 8241, F-31077 Toulouse, France

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 1999年 / 103卷 / 24期

关键词：

D O I：

10.1021/jp990601g

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The bond-valence bond-length concept has been applied to derive a correlation between the hydrogen-hydrogen and the metal-hydrogen distances in the nonclassical dihydrogen complexes and classical transition metal dihydrides. The parameters of this correlation are similar to those for strong hydrogen-bonded systems. The predicted correlation is supported by 18 neutron structures of transition metal dihydrides or dihydrogen complexes and 2 neutron structures of transition metal trihydride complexes. It is also shown that the bond-valence bond-length concept can also be used to establish a correlation between the dihydrogen distance r(HH) in dihydrogen/dihydride complexes and the scalar coupling constants J(HH)/J(HD)/J(HT) in the different isotopomers of these complexes.

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页码：4752 / 4754

页数：3

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