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