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 journalArticlepeer-review


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
Pages (from-to)6177-6181
JournalAngewandte Chemie International Edition
Issue number15
Early online date20 Feb 2020
Publication statusPublished - 6 Apr 2020

Bibliographical note

© 2020 The Authors.


  • alkane complexes
  • cobalt
  • periodic density functional theory
  • single crystals
  • X-ray diffraction

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