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.
Revised: June 13, 2019 |
Published: May 7, 2019
Citation
Johnson S., S.P. Heins, C. Klug, E.S. Wiedner, R.M. Bullock, and S. Raugei. 2019.Design and reactivity of pentapyridyl metal complexes for ammonia oxidation.Chemical Communications 55, no. 35:5083-5086.PNNL-SA-141391.doi:10.1039/C9CC01249D