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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.