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From the same journal

A Structurally Characterized Cobalt(I) σ-Alkane Complex

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Author(s)

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

Department/unit(s)

Publication details

JournalAngewandte Chemie International Edition
DateAccepted/In press - 15 Jan 2020
DateE-pub ahead of print - 20 Feb 2020
DatePublished (current) - 6 Apr 2020
Issue number15
Volume59
Pages (from-to)6177-6181
Early online date20/02/20
Original languageEnglish

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.

Bibliographical note

© 2020 The Authors.

    Research areas

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

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