Unexpected intramolecular interactions in Ru3(CO)12: An experimental charge density study at 120Â K

The experimental charge density determination (T = 120 K) of a second-row transition metal cluster and subsequent topological analysis elucidate the bonding of the Ru3(CO)12 molecule. The Ru-Ru bond critical point features were found to be close to those of the first-row transition metal-metal bonds. Furthermore, the experiment reveals the presence of C⋯C interactions among the axial carbonyl ligands. They may justify the sterically hindered D3h configuration of the molecule and the distortion of axial COs from linearity.