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A Unifying Bonding Concept for Metal Hydrosilane Complexes


  • This work was supported by the DFG (SPP1178) and NanoCat (an International Graduate Program within the Elitenetzwerk Bayern).


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Experimental and theoretical charge density studies and molecular orbital analyses suggest that the complexes [Cp2Ti(PMe3)SiH2Ph2] (1) and [Cp2Ti(PMe3)SiHCl3] (2) display virtually the same electronic structures. No evidence for a significant interligand hypervalent interaction could be identified for 2. A bonding concept for transition-metal hydrosilane complexes aims to identify the true key parameters for a selective activation of the individual M[BOND]Si and Si[BOND]H bonds.