Ta₂ ⁺-mediated ammonia synthesis from N₂ and H₂ at ambient temperature.

ABSTRACT: In a full catalytic cycle, bare Ta₂ ⁺ in the highly diluted gas phase is able to mediate the formation of ammonia in a Haber-Bosch-like process starting from N₂ and H₂ at ambient temperature. This finding is the result of extensive quantum chemical calculations supported by experiments using Fourier transform ion cyclotron resonance MS. The planar Ta₂N₂ ⁺, consisting of a four-membered ring of alternating Ta and N atoms, proved to be a key intermediate. It is formed in a highly exothermic process either by the reaction of Ta₂ ⁺ with N₂ from the educt side or with two molecules of NH₃ from the product side. In the thermal reaction of Ta₂ ⁺ with N

SUBMITTER: Geng C 

PROVIDER: S-EPMC6243240 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature