Are J(Si-H) NMR coupling constants really a probe for the existence of nonclassical H-Si interactions?
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.
Dubberley
Stuart R
SR
Inorganic Chemistry Laboratory, South Parks Road, Oxford OX1 3QR, UK.
Ignatov
Stanislav K
SK
Rees
Nicholas H
NH
Razuvaev
Alexei G
AG
Mountford
Philip
P
Nikonov
Georgii I
GI