Design and reactivity of pentapyridyl metal complexes for ammonia oxidation

Samantha I. Johnson, Spencer P. Heins, Christina M. Klug, Eric S. Wiedner, R. Morris Bullock, Simone Raugei

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)5083-5086
Number of pages4
JournalChemical Communications
Issue number35
Publication statusPublished - 2019

ASJC Scopus subject areas

  • Catalysis
  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Chemistry(all)
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry

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