Redox-Disproportionation of a Decamethyltitanocene(III) Isonitrile Alkynyl Complex.

A mixed decamethyltitanocene(III) isonitrile alkynyl complex ( 7) was synthesized by the sequential introduction of the isonitrile and alkynyl ligands. Direct synthesis results in the formation of the diamagnetic decamethyltitanocene bis(isonitrile) ( 2) and bis(alkynyl) ( 3) complexes. Compound 7 undergoes disproportionation at room temperature to give 2 and 3. All complexes were fully characterized by IR, NMR, and EPR spectroscopy, and mass spectrometry. Molecular structures for complexes 2 and 7 are reported. The stability and reactivity of these complexes are rationalized by DFT computations. [ABSTRACT FROM AUTHOR]