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Design and reactivity of pentapyridyl metal complexes for ammonia oxidation

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Abstract

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.

Graphical abstract: Design and reactivity of pentapyridyl metal complexes for ammonia oxidation

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Publication details

The article was received on 13 Feb 2019, accepted on 04 Apr 2019 and first published on 08 Apr 2019


Article type: Communication
DOI: 10.1039/C9CC01249D
Citation: Chem. Commun., 2019, Advance Article

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    Design and reactivity of pentapyridyl metal complexes for ammonia oxidation

    S. I. Johnson, S. P. Heins, C. M. Klug, E. S. Wiedner, R. M. Bullock and S. Raugei, Chem. Commun., 2019, Advance Article , DOI: 10.1039/C9CC01249D

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