Abstract

A 1,4-cyclohexadiene dianion resonance structure makes a significant contribution to the structure of the (arene)Ti complex [LTi(η6 -PhCH3 )] (see picture on the right). Labeling experiments have demonstrated that the structure forms through an unusual elimination/σ-π rearrangement reaction in which [LTi(CH2 Ph)2 ] reacts readily with hydrogen; the use of the cyclohexane-linked bis-amidinate ligand L with constrained geometry makes the transformation possible.

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