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

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
Volume59
Issue number15
Early online date15 Jan 2020
DOIs
Publication statusPublished - 6 Apr 2020

Keywords

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

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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  • Cite this

    Boyd, T. M., Tegner, B., Tizzard, G., Martinez-Martinez, A., Neale, S., Hayward, M., Coles, S., Macgregor, S., & Weller, A. S. (2020). A Structurally Characterized Cobalt(I) σ-Alkane Complex. Angewandte Chemie International Edition, 59(15), 6177-6181. https://doi.org/10.1002/anie.201914940