A Structurally Characterized Cobalt(I) σ-Alkane Complex

Timothy M. Boyd, Bengt Tegner, Graham Tizzard, Antonio Martinez-Martinez, Samuel Neale, Michael Hayward, Simon Coles, Stuart Macgregor, Andrew S. Weller

Research output: Contribution to journalArticle

Abstract

The synthesis, and x-ray structure, of a cobalt s -alkane complex, [Co(Cy 2 P(CH 2 ) 4 PCy 2 )( norbornane )][BAr F 4 ], is achieved by a single-crystal to single-crystal solid/gas hydrogenation from a norbornadiene precursor. Magnetic data show this complex to be a triplet. Periodic DFT and electronic structure analyses identify weak C-H ··· Co σ -interactions, augmented by dispersive stabilisation between the alkane ligand and the anion-microenvironment. The calculations are most consistent with a η 1 : η 1 -alkane binding mode.

Original languageEnglish
JournalAngewandte Chemie International Edition
Early online date15 Jan 2020
DOIs
Publication statusE-pub ahead of print - 15 Jan 2020

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Alkanes
Cobalt
Norbornanes
Hydrogenation
Anions
Gases
X-Rays
Ligands

Cite this

Boyd, T. M., Tegner, B., Tizzard, G., Martinez-Martinez, A., Neale, S., Hayward, M., ... Weller, A. S. (2020). A Structurally Characterized Cobalt(I) σ-Alkane Complex. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.201914940
Boyd, Timothy M. ; Tegner, Bengt ; Tizzard, Graham ; Martinez-Martinez, Antonio ; Neale, Samuel ; Hayward, Michael ; Coles, Simon ; Macgregor, Stuart ; Weller, Andrew S. / A Structurally Characterized Cobalt(I) σ-Alkane Complex. In: Angewandte Chemie International Edition. 2020.
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Boyd, TM, Tegner, B, Tizzard, G, Martinez-Martinez, A, Neale, S, Hayward, M, Coles, S, Macgregor, S & Weller, AS 2020, 'A Structurally Characterized Cobalt(I) σ-Alkane Complex', Angewandte Chemie International Edition. https://doi.org/10.1002/anie.201914940

A Structurally Characterized Cobalt(I) σ-Alkane Complex. / Boyd, Timothy M.; Tegner, Bengt; Tizzard, Graham; Martinez-Martinez, Antonio; Neale, Samuel; Hayward, Michael; Coles, Simon; Macgregor, Stuart; Weller, Andrew S.

In: Angewandte Chemie International Edition, 15.01.2020.

Research output: Contribution to journalArticle

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AU - Boyd, Timothy M.

AU - Tegner, Bengt

AU - Tizzard, Graham

AU - Martinez-Martinez, Antonio

AU - Neale, Samuel

AU - Hayward, Michael

AU - Coles, Simon

AU - Macgregor, Stuart

AU - Weller, Andrew S.

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AB - The synthesis, and x-ray structure, of a cobalt s -alkane complex, [Co(Cy 2 P(CH 2 ) 4 PCy 2 )( norbornane )][BAr F 4 ], is achieved by a single-crystal to single-crystal solid/gas hydrogenation from a norbornadiene precursor. Magnetic data show this complex to be a triplet. Periodic DFT and electronic structure analyses identify weak C-H ··· Co σ -interactions, augmented by dispersive stabilisation 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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SN - 1433-7851

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Boyd TM, Tegner B, Tizzard G, Martinez-Martinez A, Neale S, Hayward M et al. A Structurally Characterized Cobalt(I) σ-Alkane Complex. Angewandte Chemie International Edition. 2020 Jan 15. https://doi.org/10.1002/anie.201914940