A Structurally Characterized Cobalt(I) σ‐Alkane Complex | Zendy

Boyd Timothy M. | Zendy; Tegner Bengt E. | Zendy; Tizzard Graham J. | Zendy; MartínezMartínez Antonio J. | Zendy; Neale Samuel E. | Zendy; Hayward Michael A. | Zendy; Coles Simon J. | Zendy; Macgregor Stuart A. | Zendy; Weller Andrew S. | Zendy

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A Structurally Characterized Cobalt(I) σ‐Alkane Complex

Author(s) -

Boyd Timothy M.,

Tegner Bengt E.,

Tizzard Graham J.,

MartínezMartínez Antonio J.,

Neale Samuel E.,

Hayward Michael A.,

Coles Simon J.,

Macgregor Stuart A.,

Weller Andrew S.

Publication year - 2020

Publication title -

angewandte chemie

Language(s) - English

Resource type - Journals

eISSN - 1521-3757

pISSN - 0044-8249

DOI - 10.1002/ange.201914940

Subject(s) - norbornane , alkane , norbornadiene , chemistry , cobalt , crystallography , single crystal , octane , crystal structure , stereochemistry , hydrocarbon , inorganic chemistry , organic chemistry , catalysis

A cobalt σ‐alkane complex, [Co(Cy 2 P(CH 2 ) 4 PCy 2 )(norbornane)][BAr F 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 η 1 :η 1 ‐alkane binding mode.

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