Abstract
A cobalt σ‐alkane complex, [Co(Cy2P(CH2)4PCy2)(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.
Highlights
In s-alkane complexes, a CÀH group interacts with a metal in a three-center two-electron bond (3c-2e), and these species are key intermediates in stoichiometric and catalytic hydrocarbon CÀH activation processes.[1,2]
The directional, nonnucleophilic, and strong CÀH bond means that alkanes are poor ligands (40–60 kJ molÀ1), making s-alkane complexes challenging to observe because of displacement of the alkane by solvent or other ligands.[3]
We have recently developed molecular solid-state routes to s-alkane complexes that circumvent the need for solvent
Summary
International Edition: DOI: 10.1002/anie.201914940 German Edition: DOI: 10.1002/ange.201914940 Timothy M. Boyd, Bengt E. Tegner, Graham J. Tizzard, Antonio J. Martínez-Martínez, Samuel E. Neale, Michael A. Hayward, Simon J. Coles, Stuart A. Macgregor,* and Andrew S. Weller*
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