@article{15b50ab1dcd542f4a7406b884f7c2250,
title = "Mechanistic study on reduction of nitric oxide to nitrous oxide using a dicopper complex",
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.",
author = "Yohei Kametani and Tsukasa Abe and Kazunari Yoshizawa and Yoshihito Shiota",
note = "Funding Information: K. Y. acknowledges KAKENHI Grant numbers JP15K13710, JP17H03117 and JP20H05671 from the Japan Society for the Promotion of Science (JSPS) and the Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT), the MEXT Projects of “Integrated Research Consortium on Chemical Sciences”, “Cooperative Research Program of Network Joint Research Center for Materials and Devices”, “Elements Strategy Initiative to Form Core Research Center”, JST-CREST JPMJCR15P5 and JST-Mirai JPMJMI18A2. The computational study was mainly carried out using the computer facilities at Research Institute for Information Technology, Kyushu University. Publisher Copyright: {\textcopyright} 2022 The Royal Society of Chemistry",
year = "2022",
month = mar,
day = "15",
doi = "10.1039/d2dt00275b",
language = "English",
volume = "51",
pages = "5399--5403",
journal = "Dalton Transactions",
issn = "1477-9226",
publisher = "Royal Society of Chemistry",
number = "14",
}