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Issue 40, 2011
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Experimental charge density study into C–C σ-interactions in a Binor-S rhodium complex

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Abstract

Transition-metal complexes containing (C–C)→M σ-interactions have potential applications in both catalysis and the activation and cleavage of C–C bonds. Fully characterising the bonding and interactions in complexes containing such (C–C)→M σ-interactions is vital to understand their chemical behaviour. As a result a high-resolution experimental X-ray charge density study has been undertaken on [Rh(Binor-S)(PCy3)][HCB11Me11] (Binor-S = 1,2,4,5,6,8-dimetheno-s-indacene) which contains a (C–C)→Rh interaction. The data are analysed using Bader's “Atoms in Molecules” (AIM) approach with particular attention paid to the interactions around the rhodium centre. The results provide clear evidence for the σ(C–C)→Rh interaction in the solid-state which is classified as a weak covalent interaction. These results are supported by theoretical calculations.

Graphical abstract: Experimental charge density study into C–C σ-interactions in a Binor-S rhodium complex

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Article information


Submitted
22 Feb 2011
Accepted
02 Aug 2011
First published
13 Sep 2011

Dalton Trans., 2011,40, 10708-10718
Article type
Paper

Experimental charge density study into C–C σ-interactions in a Binor-S rhodium complex

H. A. Sparkes, T. Krämer, S. K. Brayshaw, J. C. Green, A. S. Weller and J. A. K. Howard, Dalton Trans., 2011, 40, 10708
DOI: 10.1039/C1DT10303B

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