Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex

Papri Bhattacharya; Zachariah M. Heiden; Eric Wiedner; Simone Raugei; Nicholas A. Piro; W. Scott Kassel; R Morris Bullock; Michael T. Mock

doi:10.1021/jacs.7b00002

Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH₃ Complex

Papri Bhattacharya, Zachariah M. Heiden, Eric Wiedner, Simone Raugei, Nicholas A. Piro, W. Scott Kassel, R Morris Bullock, Michael T. Mock

Pacific Northwest National Laboratory

Research output: Contribution to journal › Article

18 Citations (Scopus)

Abstract

We report ammonia oxidation by homolytic cleavage of all three H atoms from a [Mo-NH₃]⁺ complex using the 2,4,6-tri-tert-butylphenoxyl radical to yield a Mo-alkylimido ([MoNR]⁺) complex (R = 2,4,6-tri-tert-butylcyclohexa-2,5-dien-1-one). Chemical reduction of [MoNR]⁺ generates a terminal MoN nitride complex upon N-C bond cleavage, and a [MoNH]⁺ complex is formed by protonation of the nitride. Computational analysis describes the energetic profile for the stepwise removal of three H atoms from [Mo-NH₃]⁺ and formation of [MoNR]⁺

Original language	English
Pages (from-to)	2916-2919
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	139
Issue number	8
DOIs	https://doi.org/10.1021/jacs.7b00002
Publication status	Published - Mar 1 2017

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ASJC Scopus subject areas

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

Cite this

Bhattacharya, P., Heiden, Z. M., Wiedner, E., Raugei, S., Piro, N. A., Kassel, W. S., Bullock, R. M., & Mock, M. T. (2017). Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH₃ Complex. Journal of the American Chemical Society, 139(8), 2916-2919. https://doi.org/10.1021/jacs.7b00002

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abstract = "We report ammonia oxidation by homolytic cleavage of all three H atoms from a [Mo-NH3]+ complex using the 2,4,6-tri-tert-butylphenoxyl radical to yield a Mo-alkylimido ([MoNR]+) complex (R = 2,4,6-tri-tert-butylcyclohexa-2,5-dien-1-one). Chemical reduction of [MoNR]+ generates a terminal MoN nitride complex upon N-C bond cleavage, and a [MoNH]+ complex is formed by protonation of the nitride. Computational analysis describes the energetic profile for the stepwise removal of three H atoms from [Mo-NH3]+ and formation of [MoNR]+ ",

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AU - Bhattacharya, Papri

AU - Heiden, Zachariah M.

AU - Wiedner, Eric

AU - Raugei, Simone

AU - Piro, Nicholas A.

AU - Kassel, W. Scott

AU - Bullock, R Morris

AU - Mock, Michael T.

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N2 - We report ammonia oxidation by homolytic cleavage of all three H atoms from a [Mo-NH3]+ complex using the 2,4,6-tri-tert-butylphenoxyl radical to yield a Mo-alkylimido ([MoNR]+) complex (R = 2,4,6-tri-tert-butylcyclohexa-2,5-dien-1-one). Chemical reduction of [MoNR]+ generates a terminal MoN nitride complex upon N-C bond cleavage, and a [MoNH]+ complex is formed by protonation of the nitride. Computational analysis describes the energetic profile for the stepwise removal of three H atoms from [Mo-NH3]+ and formation of [MoNR]+

AB - We report ammonia oxidation by homolytic cleavage of all three H atoms from a [Mo-NH3]+ complex using the 2,4,6-tri-tert-butylphenoxyl radical to yield a Mo-alkylimido ([MoNR]+) complex (R = 2,4,6-tri-tert-butylcyclohexa-2,5-dien-1-one). Chemical reduction of [MoNR]+ generates a terminal MoN nitride complex upon N-C bond cleavage, and a [MoNH]+ complex is formed by protonation of the nitride. Computational analysis describes the energetic profile for the stepwise removal of three H atoms from [Mo-NH3]+ and formation of [MoNR]+

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Access to Document

10.1021/jacs.7b00002