Jump to main content
Jump to site search

Issue 40, 2011
Previous Article Next Article

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

Author affiliations

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

Back to tab navigation

Supplementary files

Publication details

The article was received on 22 Feb 2011, accepted on 02 Aug 2011 and first published on 13 Sep 2011


Article type: Paper
DOI: 10.1039/C1DT10303B
Citation: Dalton Trans., 2011,40, 10708-10718
  •   Request permissions

    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

Search articles by author

Spotlight

Advertisements