Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C7H8)((PBu3)-Bu-t)Cl] and [Rh(C7H8)(PCy3)Cl]

Rhodium complexes have potential uses in both catalysis and promoting the cleavage of C-C bonds. In order to further our understanding of these species and their potential applications, it is vital to obtain insight into the bonding within the species, particularly the Rh-C interactions, and to this end experimental charge-density studies have been undertaken on the title complexes. High-resolution single-crystal datasets to sin theta/lambda = 1.06 angstrom(-1) were obtained at 100 K and analysed using Bader's 'Atoms in Molecules' (AIM) approach. The results of the studies have provided unique insights into the bonding involving rhodium and highlight the importance of undertaking such investigations for transition metal compounds.