A cobalt σ-alkane complex, [Co(Cy P(CH ) PCy )(norbornane)][BAr ], 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 η :η -alkane binding mode.
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| http://dx.doi.org/10.1002/anie.201914940 | DOI Listing |
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