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

Journal article

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)(PCy(3))][HCB(11)Me(11)] (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.

Authors: Sparkes, H; Krämer, T; Brayshaw, S; Green, J; Weller, A

• Publication status: Published
• Journal: Dalton transactions (Cambridge, England : 2003)
• Volume: 40
• Issue: 40
• Pages: 10708-10718
• Publication date: 2011-10-01
• DOI: 10.1039/c1dt10303b
• EISSN: 1477-9234
• ISSN: 1477-9226
• Language: English