Generation of Hydroxyl Radicals in the Reaction of Dihydrogen with AuNbO4+ Cluster Cations.

摘要: A molecular-level insight into the nature of reactive oxygen species involved in dihydrogen (H2 ) dissociation is great importance to understand gold catalysis. In this study, laser ablation generated and mass-selected AuNbO4+ oxide cluster cations could dissociate H2 an ion-trap reactor. The reaction has been characterized by time-of-flight mass spectrometric experiments density functional calculations. lowest energy isomer contains two lattice (O2- one superoxide (O2.- species. atom anchors molecule first step then delivers hydrogen O2- ion dissociation. At same time, O2.- reduced a peroxide unit that can accept second with generation hydroxyl radical as main product. important roles have identified.