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NOESY, HOESY, T 1 and solid‐state NMR studies on [RuH(η 6 ‐toluene)(Binap)](CF 3 SO 3 ): a molecule with a strongly distorted piano‐stool structure
Author(s) -
Geldbach Tilmann J.,
Rüegger Heinz,
Pregosin Paul S.
Publication year - 2003
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.1246
Subject(s) - chemistry , binap , ruthenium , trifluoromethanesulfonate , nuclear magnetic resonance spectroscopy , toluene , hydride , molecule , crystallography , stereochemistry , organic chemistry , enantioselective synthesis , catalysis , hydrogen
Detailed solution‐NMR studies on the distorted ruthenium hydride complex [RuH(η 6 ‐toluene)(Binap)](CF 3 SO 3 ) (2) are reported. NOE‐spectroscopy, together with low‐temperature 1 H and 31 P NMR data, reveals restricted rotation around a P—C bond for a specific axial P—phenyl ring with the activation energy determined via simulation. From 19 F, 1 H HOESY data, the approach of the triflate anion relative to the hydride ligand is established. Comparison of the quadrupole coupling constant C QF from both solution‐ and solid‐state MAS‐NMR on the deuteride [RuD(η 6 ‐benzene)(Binap)](CF 3 SO 3 ) (1‐D) provide information on the nature of the Ru—H bond. Copyright © 2003 John Wiley & Sons, Ltd.