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 › peer-review

23 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

ASJC Scopus subject areas

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH₃ Complex. / Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric ; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R Morris; Mock, Michael T.

In: Journal of the American Chemical Society, Vol. 139, No. 8, 01.03.2017, p. 2916-2919.

Research output: Contribution to journal › Article › peer-review

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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

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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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