Design and reactivity of pentapyridyl metal complexes for ammonia oxidation

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

Research output: Contribution to journalArticle

Abstract

Oxidation of NH 3 to N 2 by pentapyridyl metal complexes via hydrogen atom abstraction was investigated computationally. Quantum chemical analysis reveals insights on orbital symmetry requirements for efficient NH 3 oxidation. The most promising complex, [(PY5)Mo(NH 3 )] 2+ , was studied experimentally. It shows conversion of NH 3 to N 2 upon treatment with 2,4,6-tri-tert-butylphenoxyl radical.

Original languageEnglish
Pages (from-to)5083-5086
Number of pages4
JournalChemical Communications
Volume55
Issue number35
DOIs
Publication statusPublished - Jan 1 2019

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Coordination Complexes
Metal complexes
Ammonia
Oxidation
Hydrogen
Atoms
Chemical analysis

ASJC Scopus subject areas

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

Cite this

Design and reactivity of pentapyridyl metal complexes for ammonia oxidation. / Johnson, Samantha I.; Heins, Spencer P.; Klug, Christina M.; Wiedner, Eric; Bullock, R Morris; Raugei, Simone.

In: Chemical Communications, Vol. 55, No. 35, 01.01.2019, p. 5083-5086.

Research output: Contribution to journalArticle

Johnson, Samantha I. ; Heins, Spencer P. ; Klug, Christina M. ; Wiedner, Eric ; Bullock, R Morris ; Raugei, Simone. / Design and reactivity of pentapyridyl metal complexes for ammonia oxidation. In: Chemical Communications. 2019 ; Vol. 55, No. 35. pp. 5083-5086.
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