Electronic structure analysis and reactivity of the bimetallic bis-titanocene vinylcarboxylate complex, [(Cp2Ti)2(O2C3TMS2)] Academic Article uri icon


  • Multimetallic redox cooperativity features heavily in both bioinorganic and synthetic reactions. Here, the electronic structure of the bimetallic Ti/Ti complex 11, [(Cp2Ti)2(O2C3TMS2)] has been revisited with EPR, confirming a predominantly TiIII/TiIII electronic structure. Reactions of 11 with 2,6-dimethylphenyl isocyanide (CNXyl), TMSCl, MeI, and BnCl were explored, revealing differential redox chemistry of the bimetallic core. In reactions with CNXyl and TMSCl, the metallacyclic TiIII center remained unperturbed, with reactions taking place at the pendent 2(O,O)-titanocene fragment, while reaction with MeI resulted in remote oxidation of the metallacyclic Ti center, indicative of a cooperative redox process. All structures were studied via X-ray diffraction and EPR spectroscopic analysis, and their electronic structures are discussed in the context of the covalent bond classification (CBC) electron counting method.

published proceedings

  • Polyhedron

altmetric score

  • 13.45

author list (cited authors)

  • Huh, D. N., Maity, A., Van Trieste, G. P., Schley, N. D., Powers, D. C., & Tonks, I. A.

citation count

  • 3

complete list of authors

  • Huh, Daniel N||Maity, Asim||Van Trieste, Gerard P||Schley, Nathan D||Powers, David C||Tonks, Ian A

publication date

  • October 2021