title: Evidence of Oxygen Activation in the Reaction between an N-Heterocyclic Carbene and M3N@Ih(7)-C80: An Unexpected Method of Steric Hindrance Release.
abstract: We herein demonstrate for the first time the unexpected oxygen-involving reaction between M3N@Ih(7)-C80(M = Sc, Lu) and 1,3-bis(diisopropylphenyl)imidazol-2-ylene (1). By introducing a tiny amount of oxygen into the reaction, unprecedented products (2a for Sc3N@C80and 3a for Lu3N@C80) with the normal carbene center C2 singly bonded to a triple hexagonal junction (THJ) cage carbon together with an oxygen atom bridging the same THJ carbon atom and a neighboring carbon atom forming an epoxy structure are obtained. In situ mechanism study, in combination with theoretical calculations, reveals that the bond-breaking peroxidation facilitates the formation of the unexpected products 2a and 3a, providing new insight into fullerene chemistry.
authors.affiliation: Department of Materials Physics, School of Physics and Mechanical& Electronical Engineering, Hubei University of Education 129 Gaoxin Second Road, Wuhan Hi-Tech Zone, Wuhan 430205, P.R. China.|State Key Laboratory of Materials Processing and Die & Mold Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology , 1037 Luoyu Road, Wuhan 430074, P.R. China.
authors.forename: Muqing
authors.initials: M
authors.lastname: Chen
authors.affiliation: State Key Laboratory of Materials Processing and Die & Mold Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology , 1037 Luoyu Road, Wuhan 430074, P.R. China.
authors.forename: Wangqiang
authors.initials: W
authors.lastname: Shen
authors.affiliation: State Key Laboratory of Materials Processing and Die & Mold Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology , 1037 Luoyu Road, Wuhan 430074, P.R. China.
authors.forename: Ping
authors.initials: P
authors.lastname: Peng
authors.affiliation: State Key Laboratory of Materials Processing and Die & Mold Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology , 1037 Luoyu Road, Wuhan 430074, P.R. China.
authors.forename: Lipiao
authors.initials: L
authors.lastname: Bao
authors.affiliation: State Key Laboratory of Materials Processing and Die & Mold Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology , 1037 Luoyu Road, Wuhan 430074, P.R. China.
authors.forename: Shasha
authors.initials: S
authors.lastname: Zhao
authors.affiliation: State Key Laboratory of Materials Processing and Die & Mold Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology , 1037 Luoyu Road, Wuhan 430074, P.R. China.
authors.forename: Yunpeng
authors.initials: Y
authors.lastname: Xie
authors.affiliation: School of Materials Science and Engineering, Hebei University of Technology , Tianjin 300130, P. R. China.
authors.forename: Peng
authors.initials: P
authors.lastname: Jin
authors.affiliation: State Key Laboratory of Materials Processing and Die & Mold Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology , 1037 Luoyu Road, Wuhan 430074, P.R. China.
authors.forename: Hongyun
authors.initials: H
authors.lastname: Fang
authors.affiliation: State Key Laboratory of Materials Processing and Die & Mold Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology , 1037 Luoyu Road, Wuhan 430074, P.R. China.
authors.forename: Fang-Fang
authors.initials: FF
authors.lastname: Li
authors.affiliation: State Key Laboratory of Materials Processing and Die & Mold Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology , 1037 Luoyu Road, Wuhan 430074, P.R. China.
authors.forename: Xing
authors.identifier: 0000-0003-2741-8733
authors.initials: X
authors.lastname: Lu