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

24 Citations (Scopus)
48 Downloads (Pure)


A cobalt σ-alkane complex, [Co(Cy 2P(CH 2) 4PCy 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 11-alkane binding mode.

Original languageEnglish
Pages (from-to)6177-6181
Number of pages5
JournalAngewandte Chemie International Edition
Issue number15
Early online date15 Jan 2020
Publication statusPublished - 6 Apr 2020


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

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry


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