Abstract
Variable-temperature 1H and 13C NMR spectroscopy has been used to study the dynamics of the β-agostic isopropyl complex (ArNC(R)−C(R)NAr)Pd(CH(CH2-μ-H)(CH3))+BAr4‘- (Ar = 2,6-C6H3(i-Pr)2). 1H and 13C line shape analysis suggests two independent processes occur: interchange of the agostic and nonagostic methyl groups and exchange of hydrogens within the agostic methyl group, which is best regarded as in-place methyl group rotation. Barriers for both of these processes are similar, with ΔG⧧ ca. 9 kcal/mol. The methyl groups undergo interchange without inversion at the Pd(II) center.
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