Authors:
Johannes J. C. Erasmus Department of Chemistry, University of the Free State, PO Box 339, Bloemfontein 9300, Republic of South Africa

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Marrigje M. Conradie Department of Chemistry, University of the Free State, PO Box 339, Bloemfontein 9300, Republic of South Africa
Department of Chemistry and Centre for Theoretical and Computational Chemistry, University of Tromso, 9037, Troms⊘, Norway

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Jeanet Conradie Department of Chemistry, University of the Free State, PO Box 339, Bloemfontein 9300, Republic of South Africa
Department of Chemistry and Centre for Theoretical and Computational Chemistry, University of Tromso, 9037, Troms⊘, Norway

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Abstract

Experimental and density functional theory results of the oxidative addition and CO insertion steps of methyl iodide with [Rh(CH3COCHCOCF3)(CO)(P(OCH2)3CCH3)] are presented. Large negative experimental values for the activation entropy and results from a density functional theory study indicated trans addition of the CH3I to [Rh(CH3COCHCOCF3)(CO)(P(OCH2)3CCH3)]. Although the electron withdrawing CF3 group slows down the oxidative addition step, the strong electron donation of P(OCH2)3CCH3 still accelerates the oxidation addition step by ca 20 times (at 35 °C) compared to that of the Monsanto catalyst.

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Reaction Kinetics, Mechanisms and Catalysis
Language English
Size B5
Year of
Foundation
1974
Volumes
per Year
1
Issues
per Year
6
Founder Akadémiai Kiadó
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Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
Publisher Akadémiai Kiadó
Springer Nature Switzerland AG
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Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
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Chief Executive Officer, Akadémiai Kiadó
ISSN 1878-5190 (Print)
ISSN 1878-5204 (Online)