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Updated: Mar 7, 2026

Ammonia Synthesis at Low Pressure
Published on: August 23, 2017
Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex
Papri Bhattacharya1, Zachariah M Heiden2, Eric S Wiedner1
1Center for Molecular Electrocatalysis, Pacific Northwest National Laboratory , P.O. Box 999, Richland, Washington 99352, United States.
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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