Design and reactivity of pentapyridyl metal complexes for ammonia oxidation
Oxidation of NH3 to N2 by pentapyridyl metal complexes via hydrogen atom abstraction was investigated computationally. Quantum chemical analysis reveals insights on orbital symmetry requirements for efficient NH3 oxidation. The most promising complex, [(PY5)Mo(NH3)]2+, was studied experimentally. It shows conversion of NH3 to N2 upon treatment with 2,4,6-tri-tert-butylphenoxyl radical.
- This article is part of the themed collection: Frontiers in Proton Coupled Electron Transfer (PCET)