Design and reactivity of pentapyridyl metal complexes for ammonia oxidation.

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

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

Afiliación

Johnson SI; Center for Molecular Electrocatalysis, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA. Eric.Wiedner@pnnl.gov Simone.Raugei@ppnl.gov.

Chem Commun (Camb) ; 55(35): 5083-5086, 2019 Apr 25.

Article en En | MEDLINE | ID: mdl-30977481

ABSTRACT

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.

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chem Commun (Camb) Asunto de la revista: QUIMICA Año: 2019 Tipo del documento: Article

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