Design and reactivity of pentapyridyl metal complexes for ammonia oxidation
- BATTELLE (PACIFIC NW LAB)
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-tertbutylphenoxyl radical.
- Research Organization:
- Energy Frontier Research Centers (EFRC) (United States). Center for Molecular Electrocatalysis (CME); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 1526032
- Report Number(s):
- PNNL-SA-141391
- Journal Information:
- Chemical Communications, Vol. 55, Issue 35
- Country of Publication:
- United States
- Language:
- English
Triple hydrogen atom abstraction from Mn–NH 3 complexes results in cyclophosphazenium cations
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journal | January 2019 |
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