Communication
H2O Activation for Hydrogen-Atom Transfer: Correct Structures and Revised Mechanisms†
†
We gratefully acknowledge support by the SFB 813 (“Chemistry at Spin Centers”).
Abstract
In contradiction to what has been postulated before, the formation of cationic hydrated TiIII complexes is crucial for the activation of H2O towards hydrogen-atom transfer (HAT). The relevant intermediates have been characterized by modern EPR methods (see spectrum) and cyclic voltammetry. The structural assignments were verified by a comprehensive computational study. The calculated bond dissociation energies are in agreement with a previous kinetic investigation.
