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A Structurally Characterized Cobalt(I) σ-Alkane Complex.
Boyd, Timothy M; Tegner, Bengt E; Tizzard, Graham J; Martínez-Martínez, Antonio J; Neale, Samuel E; Hayward, Michael A; Coles, Simon J; Macgregor, Stuart A; Weller, Andrew S.
Afiliação
  • Boyd TM; Chemistry Research Laboratories, Department of Chemistry, University of Oxford, Oxford, OX1 3TA, UK.
  • Tegner BE; Department of Chemistry, University of York, York, YO10 5DD, UK.
  • Tizzard GJ; Institute of Chemical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, UK.
  • Martínez-Martínez AJ; UK National Crystallography Service, Chemistry, Faculty of Engineering and Physical Sciences, University of Southampton, Southampton, SO17 1BJ, UK.
  • Neale SE; Chemistry Research Laboratories, Department of Chemistry, University of Oxford, Oxford, OX1 3TA, UK.
  • Hayward MA; Institute of Chemical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, UK.
  • Coles SJ; Chemistry Research Laboratories, Department of Chemistry, University of Oxford, Oxford, OX1 3TA, UK.
  • Macgregor SA; UK National Crystallography Service, Chemistry, Faculty of Engineering and Physical Sciences, University of Southampton, Southampton, SO17 1BJ, UK.
  • Weller AS; Institute of Chemical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, UK.
Angew Chem Int Ed Engl ; 59(15): 6177-6181, 2020 Apr 06.
Article em En | MEDLINE | ID: mdl-31943626
ABSTRACT
A cobalt σ-alkane complex, [Co(Cy2 P(CH2 )4 PCy2 )(norbornane)][BArF 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 η1η1 -alkane binding mode.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article