Torsional Isomerism of Bent Metallocene Complexes The Molecular Structure of Bis(isopropylcyclopentadienyl)zirconiumdichloride in the Solid State

Abstract
Bis(isopropylcyclopentadienyl)zirconiumdichloride (1) was synthesized by the reaction of isopropylcyclopentadienyl lithium with 1/2 molar equivalent of zirconiumtetrachloride and then crystallized from methylenechloride. Complex 1 crystallizes in space group C2/c with cell parameters a = 24.492(3)A, b = 13.525(1)Å, c = 22.894(3)Å, β = 117.90(1)°, Z = 16, R = 0.046, Rw = 0.057. There are three independent molecular entities of 1 in the asymmetric unit. These represent torsional isomers differing in the relative positions of the isopropyl substituents at the Cp-rings. The three torsional isomers may be described as anti-, syn-, and gauchelike metallocene rotamers.

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