Boyd, Timothy M, Tegner, Bengt, Tizzard, Graham et al. (6 more authors) (2020) A Structurally Characterized Cobalt(I) σ-Alkane Complex. Angewandte Chemie International Edition. pp. 6177-6181. ISSN 1433-7851
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.
Metadata
Item Type: | Article | ||||
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2020 The Authors. |
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Keywords: | alkane complexes, cobalt, periodic density functional theory, single crystals, X-ray diffraction | ||||
Dates: |
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Institution: | The University of York | ||||
Academic Units: | The University of York > Faculty of Sciences (York) > Chemistry (York) | ||||
Funding Information: |
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Depositing User: | Pure (York) | ||||
Date Deposited: | 15 Jan 2020 09:50 | ||||
Last Modified: | 16 Apr 2024 23:17 | ||||
Published Version: | https://doi.org/10.1002/anie.201914940 | ||||
Status: | Published | ||||
Refereed: | Yes | ||||
Identification Number: | https://doi.org/10.1002/anie.201914940 | ||||
Related URLs: |
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