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. |
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: | Funder Grant number EPSRC EP/M024210/2 |
Depositing User: | Pure (York) |
Date Deposited: | 15 Jan 2020 09:50 |
Last Modified: | 17 Dec 2024 00:15 |
Published Version: | https://doi.org/10.1002/anie.201914940 |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1002/anie.201914940 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:155678 |
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