Computational Studies of the Solid-State Molecular Organometallic (SMOM) Chemistry of Rh !-Alkane Complexes

Algarra, Andrés G., Burnage, Arron L., Iannuzzi, Marcella et al. (5 more authors) (2020) Computational Studies of the Solid-State Molecular Organometallic (SMOM) Chemistry of Rh !-Alkane Complexes. In: Structure and Bonding. Structure and Bonding . Springer , pp. 183-228.

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Item Type: Book Section
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Funding Information: This work was supported by the EPSRC (SAM, ASW: EP/M024210, EP/K035908, EP/K035681) and the Spanish Government (AGA). Calculations used both the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk) and the Cirrus UK National Tier-2 HPC Service at EPCC (http://www.cirrus.ac.uk) funded by the University of Edinburgh and EPSRC (EP/P020267/1). TK thanks Profs Toon Verstraelen, An Ghysels and Veronique van Speybroek (Center for Molecular Modelling, University of Ghent) for useful discussions and the Royal Society of Chemistry and the Scottish Funding Council (administered by ScotCHEM) for travel grants. Publisher Copyright: © Springer Nature Switzerland AG 2020. Copyright: Copyright 2021 Elsevier B.V., All rights reserved.

Keywords: C-H activation,Catalysis,Periodic DFT,Rh,Single-crystal-to-single-crystal,SMOM,SMOM-Cat,Solid-state molecular organometallic chemistry,σ-Alkane complexes
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  • Published: 3 November 2020
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Chemistry (York)
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EPSRC
EP/M024210/2
Depositing User: Pure (York)
Date Deposited: 11 Nov 2020 11:20
Last Modified: 16 Dec 2024 00:25
Published Version: https://doi.org/10.1007/430_2020_77
Status: Published
Publisher: Springer
Series Name: Structure and Bonding
Identification Number: 10.1007/430_2020_77
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