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Solution and solid‐state structural chemistry of tungsten pyrazolylborate π‐allyl complexes: 2D 183 W and 1 H NOESY NMR studies
Author(s) -
Pregosin Paul S.,
Macchioni Alceo,
Templeton Joseph L.,
White Peter S.,
Feng Shaoguang
Publication year - 1994
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260320707
Subject(s) - chemistry , two dimensional nuclear magnetic resonance spectroscopy , crystallography , octahedron , nmr spectra database , nuclear magnetic resonance spectroscopy , stereochemistry , solid state , solid state nuclear magnetic resonance , crystal structure , tungsten , boron , spectral line , nuclear magnetic resonance , organic chemistry , physics , astronomy
Abstract 2D 1 H NOESY and inverse detected 183 W NMR measurements for the pseudo‐octahedral η 3 ‐allyl complexes W(CO) 2 (Tp′)(η 3 ‐CH 2 CHCDPh) (1) and W(CO) 2 (Tp′)(η 3 ‐CH 2 CHCHCH 3 ) (2), where Tp′ = hydridotris(3,5‐dimethylpyrazolyl)borate are reported. The observed solution structure for 1 differs from that found in the solid‐state via x‐ray diffraction (isomers can arise due to allyl rotation and/or coordination of either allyl face). Crystal data for 1: WC 26 H 31 BN 6 O 3 , space group P2 1/ c , a = 9.775(1) Å, b = 17.360(2) Å, c = 16.144(5) Å, β = 102.26(2)°, V = 2677(1) Å 3 , Z = 4.