Abstract
A cobalt σ-alkane complex, [Co(Cy2P(CH2)4PCy2)(norbornane)][BArF4], 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 η1:η1-alkane binding mode.
Original language | English |
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Pages (from-to) | 6177-6181 |
Number of pages | 5 |
Journal | Angewandte Chemie - International Edition |
Volume | 59 |
Issue number | 15 |
Early online date | 20 Feb 2020 |
DOIs | |
Publication status | Published - 1 Apr 2020 |
Keywords
- alkane complexes
- cobalt
- periodic density functional theory
- single crystals
- X-ray diffraction
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Dive into the research topics of 'A Structurally Characterized Cobalt(I) σ-Alkane Complex'. Together they form a unique fingerprint.Datasets
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CCDC 1967463: Experimental Crystal Structure Determination
Boyd, T. M. (Creator), Tegner, B. E. (Creator), Tizzard, G. J. (Creator), Martínez-Martínez, A. J. (Creator), Neale, S. E. (Creator), Hayward, M. A. (Creator), Coles, S. J. (Creator), Macgregor, S. A. (Creator) & Weller, A. S. (Creator), Cambridge Crystallographic Data Centre, 2020
DOI: 10.5517/ccdc.csd.cc2419k2
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