Mechanistic study on reduction of nitric oxide to nitrous oxide using a dicopper complex. Issue 14 (22nd March 2022)

• Record Type: Journal Article
• Authors: Kametani, Yohei; Abe, Tsukasa; Yoshizawa, Kazunari; Shiota, Yoshihito
• Is Part Of: Dalton transactions. Volume 51:Issue 14(2022)
• Page Start: 5399
• Page End: 5403
• Publication Date: 2022-03-22
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/d2dt00275b
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : Theoretical computation reveals busy electron transfer during NO reduction by a dinuclear copper complex. Abstract : A density functional theory study was carried out to investigate the reduction mechanisms of NO to N2 O using a dicopper complex reported by Zhang and coworkers ( J . Am . Chem . Soc ., 2019, 141, 10159–10164). The reaction mechanism consists of three steps: N–N bond formation, isomerization of the resultant N2 O2 moiety, and cleavage of the N–O bond.