A Structurally Characterized Cobalt(I) σ‐Alkane Complex
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, Andrew S. Weller
Abstract
Abstract 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.
Topics & Concepts
NorbornaneAlkaneNorbornadieneCobaltChemistryCrystallographyCrystal structureStereochemistryInorganic chemistryHydrocarbonOrganic chemistryCatalysisOrganometallic Complex Synthesis and CatalysisCarbon dioxide utilization in catalysisAsymmetric Hydrogenation and Catalysis