Figure 2.

Transition-state structures for [FeIII(OCH3)(N3PyO2Ph)]+ (left) and [FeIII(OH)(N3PyO2Ph)]+ (right) with (4-Cl-C6H4)3C•. The C−O and Fe−O distances (in Å), and imaginary frequencies, are listed for each structure.

Transition-state structures for [FeIII(OCH3)(N3PyO2Ph)]+ (left) and [FeIII(OH)(N3PyO2Ph)]+ (right) with (4-Cl-C6H4)3C•. The C−O and Fe−O distances (in Å), and imaginary frequencies, are listed for each structure.