Are J(Si-H) NMR coupling constants really a probe for the existence of nonclassical H-Si interactions?

被引：57

作者：

Dubberley, SR

Ignatov, SK

Rees, NH

Razuvaev, AG

Mountford, P

Nikonov, GI

机构：

[1] Inorgan Chem Lab, Oxford OX1 3QR, England

[2] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119899, Russia

[3] Univ Nizhnii Novgorod, Nizhnii Novgorod 603600, Russia

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2003年 / 125卷 / 03期

关键词：

D O I：

10.1021/ja027935v

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A series of hydridosilyl complexes of tantalum, Cp(ArN)Ta(PMe3)(H)(SiClnR3-n) (n = 0-3), was prepared and studied by 29Si NMR, X-ray diffraction, and DFT calculations. An unprecedented increase of the J(Si-H) coupling constant between the hydride and silyl ligands from 14 Hz for n = 0 to 50 Hz n = 3 was observed, which however, according to DFT calculations, does not correspond to stronger bonding interaction between silicon and hydride ligands, with the strongest interaction being for n = 1. Copyright © 2003 American Chemical Society.

引用

页码：642 / 643

页数：2

共 15 条

[1] Combined single crystal neutron diffraction and solution NMR relaxation studies of mono- and bis(silyl) substituted niobocene hydrides with nonclassical interligand interactions [J].