Studies on the transferability of transition-metal-carbon and -hydrogen bond enthalpies in bis(cyclopentadienyl) complexes

Article abstract of DOI:10.1021/om00147a010

New thermochemical studies involving the complexes Ti(η⁵-C₅H₅)₂(CH ₃)₂, Ti(η⁵-C₅H₅)₂(CH₃)Cl, Ti-(η⁵-C₅H₅)₂(C ₆H₅)Cl, and W(η⁵-C₅H₅)₂(H)I together with early data for the same type of molecules containing metal-carbon and metal-hydrogen bonds enabled a detailed discussion on the validity of transferring bond enthalpies. For this purpose, a method based on the bond enthalpy term concept, previously developed for complexes M(η⁵-C₅H₅)₂LL′ (L = L′), was extended to molecules with L ≠ L′. This method also yields estimates of metal-ligand first bond dissociation enthalpies. The thermodynamics of the recently reported symmetrization reactions between Ti(η⁵-C₅H₅)₂Cl₂ and Ti(η⁵-C₅H₅)₂R₂ (R = CH₃, C₅H₅) is also described in the present study.