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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.
Publication status:
Published

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Publisher copy:
10.1021/ja027935v

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Inorganic Chemistry
Role:
Author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Inorganic Chemistry
Role:
Author
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Journal:
Journal of the American Chemical Society
Volume:
125
Issue:
3
Pages:
642-643
Publication date:
2003-01-05
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
URN:
uuid:11987a9b-93db-4780-9450-652fbc556aa3
Source identifiers:
51033
Local pid:
pubs:51033
Language:
English

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