Bonding and electronic structure of Cp*2Ru2(B8H14), a metallaborane analogue of dinuclear pentalene complexes

DFT calculations were carried out on compound Cp*2Ru2(B8H14) that suggests a strong link with the pentalene complex Cp*2Fe2(C8H6). Both compounds exhibit similar bonding modes and qualitatively related electronic structures. There are however, differences which are related to the weaker B–B bond in the B8H14 ligand as compared to the C–C bond in the pentalene ligand.