Reactions of organometallic oxometal complexes with B(C6F5)3: synthesis, structure, bonding and reactivity of [Mo(η5-C5H4Me)2{OB(C6F5)3}]
- 1 January 1998
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc., Dalton Trans.
- No. 1,p. 15-20
- https://doi.org/10.1039/a706260e
Abstract
Organometallic oxo complexes [M(C5H4R)2O] reacted with the strong Lewis acid B(C6F5)3 at their oxo functionality to yield [M(C5H4R)2{OB(C6F5)3}] (M = Mo, R = Me 1; M = W, R = H 2). The structure of 1 has been determined by X-ray crystallography. Density functional theory (DFT) calculations on [Mo(C5H5)2O] and [Mo(C5H5)2(OBF3)] have been used to model the changes in geometry to the [Mo(C5H5)2O] fragment on co-ordination by B(C6F5)3 and indicate that this process is charge rather than orbitally controlled. Compound 1 reacted with PhNCO to yield [Mo(C5H4Me)2{OC(O)NPh}{B(C6F5)3}]; spectroscopic evidence and DFT calculations suggest that the Lewis acid is bound to the molybdenum oxygen atom.Keywords
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