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A Structurally Characterized Cobalt(I) σ-Alkane Complex
Timothy M Boyd1,2, Bengt E Tegner3, Graham J Tizzard4
1Chemistry Research Laboratories, Department of Chemistry, University of Oxford, Oxford, OX1 3TA, UK.
Abstract:
A cobalt σ-alkane complex, [Co(Cy2 P(CH2 )4 PCy2 )(norbornane)][BArF 4 ], was synthesized by a single-crystal to single-crystal solid/gas hydrogenation from a norbornadiene precursor, and its structure was determined by X-ray crystallography. Magnetic data show this complex to be a triplet. Periodic DFT and electronic structure analyses revealed weak C-H→Co σ-interactions, augmented by dispersive stabilization between the alkane ligand and the anion microenvironment. The calculations are most consistent with a η1 :η1 -alkane binding mode.
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