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A density functional theory study was carried out to investigate the reduction mechanisms of NO to N2O using a dicopper complex reported by Zhang and coworkers (J. Am. Chem. Soc.,… Click to show full abstract
A density functional theory study was carried out to investigate the reduction mechanisms of NO to N2O 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 N2O2 moiety, and cleavage of the N-O bond.
Keywords:
mechanistic study;
using dicopper;
reduction;
dicopper complex
Journal Title: Dalton transactions
Year Published: 2022
Link to full text (if available)
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Journal Title: Dalton transactions
Year Published: 2022
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!