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

作者：Boucher Benoit; Ghosh Sundargopal; Halet Jean Francois; Kahlal Samia^*; Saillard Jean Yves

来源：Journal of Organometallic Chemistry, 2012, 721: 167-172.

DOI：10.1016/j.jorganchem.2012.08.033

• Cluster compounds
• Density functional theory calculations
• Iron
• Metallaborane complexes
• Pentalene
• Ruthenium

DFT calculations were carried out on compound Cp*Ru-2(2)(B8H14) that suggests a strong link with the pentalene complex Cp*Fe-2(2)(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.

• 出版日期2012-12-15