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Published on: April 10, 2018
Mechanistic study on reduction of nitric oxide to nitrous oxide using a dicopper complex
Yohei Kametani1, Tsukasa Abe2, Kazunari Yoshizawa1
1Institute for Materials Chemistry and Engineering and IRCCS, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka, Japan. shiota@ms.ifoc.kyushu-u.ac.jp.
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.
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