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A Structurally Characterized Cobalt(I) ?-Alkane Complex.

ABSTRACT: A cobalt ?-alkane complex, [Co(Cy2 P(CH2 )4 PCy2 )(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 ?-interactions, augmented by dispersive stabilization between the alkane ligand and the anion microenvironment. The calculations are most consistent with a ?1 :?1 -alkane binding mode.

SUBMITTER: Boyd TM

PROVIDER: S-EPMC7187152 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature

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A Structurally Characterized Cobalt(I) σ-Alkane Complex.

Boyd Timothy M TM Tegner Bengt E BE Tizzard Graham J GJ Martínez-Martínez Antonio J AJ Neale Samuel E SE Hayward Michael A MA Coles Simon J SJ Macgregor Stuart A SA Weller Andrew S AS

Angewandte Chemie (International ed. in English) 20200220 15

A cobalt σ-alkane complex, [Co(Cy2 P(CH2 )4 PCy2 )(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 l ...[more]

PMID: 31943626

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