{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["61(40)"],"submitter":["Merakeb L"],"pubmed_abstract":["Nitrogen reduction under mild conditions (room T and atmospheric P), using a non-fossil source of hydrogen remains a challenge. Molecular metal complexes, notably Mo based, have recently been shown to be active for such nitrogen fixation. We report electrochemical N<sub>2</sub> splitting with a Mo<sup>III</sup> triphosphino complex [(PPP)MoI<sub>3</sub> ], at room temperature and a moderately negative potential. A Mo<sup>IV</sup> nitride species was generated, which is confirmed by electrochemistry and NMR studies. The reaction goes through two successive one electron reductions of the starting Mo species, coordination of a N<sub>2</sub> molecule, and further splitting to a Mo<sup>IV</sup> nitride complex. Preliminary DFT studies support the formation of a bridging Mo<sup>I</sup> N<sub>2</sub> Mo<sup>I</sup> dinitrogen dimer evolving to the Mo nitride via a low energy transition state. This example joins a short list of molecular complexes for N<sub>2</sub> electrochemical reductive cleavage. It opens a door to electrochemical proton-coupled electron transfer (PCET) conversion studies of N<sub>2</sub> to NH<sub>3</sub> ."],"journal":["Angewandte Chemie (International ed. in English)"],"pagination":["e202209899"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9804441"],"repository":["biostudies-literature"],"pubmed_title":["Molecular Electrochemical Reductive Splitting of Dinitrogen with a Molybdenum Complex."],"pmcid":["PMC9804441"],"pubmed_authors":["Merakeb L","De Freitas J","Bennaamane S","Clot E","Mezailles N","Robert M"],"additional_accession":[]},"is_claimable":false,"name":"Molecular Electrochemical Reductive Splitting of Dinitrogen with a Molybdenum Complex.","description":"Nitrogen reduction under mild conditions (room T and atmospheric P), using a non-fossil source of hydrogen remains a challenge. Molecular metal complexes, notably Mo based, have recently been shown to be active for such nitrogen fixation. We report electrochemical N<sub>2</sub> splitting with a Mo<sup>III</sup> triphosphino complex [(PPP)MoI<sub>3</sub> ], at room temperature and a moderately negative potential. A Mo<sup>IV</sup> nitride species was generated, which is confirmed by electrochemistry and NMR studies. The reaction goes through two successive one electron reductions of the starting Mo species, coordination of a N<sub>2</sub> molecule, and further splitting to a Mo<sup>IV</sup> nitride complex. Preliminary DFT studies support the formation of a bridging Mo<sup>I</sup> N<sub>2</sub> Mo<sup>I</sup> dinitrogen dimer evolving to the Mo nitride via a low energy transition state. This example joins a short list of molecular complexes for N<sub>2</sub> electrochemical reductive cleavage. It opens a door to electrochemical proton-coupled electron transfer (PCET) conversion studies of N<sub>2</sub> to NH<sub>3</sub> .","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Oct","modification":"2026-03-16T08:07:51.115Z","creation":"2025-04-05T12:09:52.313Z"},"accession":"S-EPMC9804441","cross_references":{"pubmed":["35941077"],"doi":["10.1002/anie.202209899"]}}