Formation of a bifunctional zirconocene complex that favours intramolecular –B(C6F5)2 addition to a Cp ring over σ-ligand abstraction

Abstract
The diphenyl-ansa-zirconocene complex 2 adds HB(C6F5)2 at the CC double bond of its pendent Cp-allyl functional group to yield 3. During 3 days at room temperature the –B(C6F5)2 group takes part in an electrophilic substitution reaction at the adjacent Cp-ring to form 5 with formation of one equivalent of benzene. Complex 5 was characterized by X-ray diffraction

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