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Monometallic Endohedral Azafullerene.
Xiang, Wenhao; Jiang, Xiaole; Yao, Yang-Rong; Xin, Jinpeng; Jin, Huaimin; Guan, Runnan; Zhang, Qianyan; Chen, Muqing; Xie, Su-Yuan; Popov, Alexey A; Yang, Shangfeng.
Afiliación
  • Xiang W; Department of Materials Science and Engineering, CAS Key Laboratory of Materials for Energy Conversion, Anhui Laboratory of Advanced Photon Science and Technology, University of Science and Technology of China, Hefei 230026, China.
  • Jiang X; Department of Materials Science and Engineering, CAS Key Laboratory of Materials for Energy Conversion, Anhui Laboratory of Advanced Photon Science and Technology, University of Science and Technology of China, Hefei 230026, China.
  • Yao YR; Department of Materials Science and Engineering, CAS Key Laboratory of Materials for Energy Conversion, Anhui Laboratory of Advanced Photon Science and Technology, University of Science and Technology of China, Hefei 230026, China.
  • Xin J; Department of Materials Science and Engineering, CAS Key Laboratory of Materials for Energy Conversion, Anhui Laboratory of Advanced Photon Science and Technology, University of Science and Technology of China, Hefei 230026, China.
  • Jin H; Department of Materials Science and Engineering, CAS Key Laboratory of Materials for Energy Conversion, Anhui Laboratory of Advanced Photon Science and Technology, University of Science and Technology of China, Hefei 230026, China.
  • Guan R; Department of Materials Science and Engineering, CAS Key Laboratory of Materials for Energy Conversion, Anhui Laboratory of Advanced Photon Science and Technology, University of Science and Technology of China, Hefei 230026, China.
  • Zhang Q; State Key Lab for Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.
  • Chen M; Department of Materials Science and Engineering, CAS Key Laboratory of Materials for Energy Conversion, Anhui Laboratory of Advanced Photon Science and Technology, University of Science and Technology of China, Hefei 230026, China.
  • Xie SY; State Key Lab for Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.
  • Popov AA; Leibniz Institute for Solid State and Materials Research (IFW Dresden), Helmholtzstrasse 20, Dresden 01069, Germany.
  • Yang S; Department of Materials Science and Engineering, CAS Key Laboratory of Materials for Energy Conversion, Anhui Laboratory of Advanced Photon Science and Technology, University of Science and Technology of China, Hefei 230026, China.
J Am Chem Soc ; 144(47): 21587-21595, 2022 Nov 30.
Article en En | MEDLINE | ID: mdl-36354144
Azafullerenes derived from nitrogen substitution of carbon cage atoms render direct modifications of the cage skeleton, electronic, and physicochemical properties of fullerene. Gas-phase ionized monometallic endohedral azafullerene (MEAF) [La@C81N]+ formed via fragmentation of a La@C82 monoadduct was detected in 1999, but the pristine MEAF has never been synthesized. Here, we report the synthesis, isolation, and characterization of the first pristine MEAF La@C81N, tackling the two-decade challenge. Single-crystal X-ray diffraction study reveals that La@C81N has an 82-atom cage with a pseudo C3v(8) symmetry. According to DFT computations, the nitrogen substitution site within the C82 cage is proposed to locate at a hexagon/hexagon/pentagon junction far away from the encapsulated La atom. La@C81N exists in stable monomer form with a closed-shell electronic state, which is drastically different from the open-shell electronic state of the original La@C82. Our breakthrough in synthesizing a new type of azafullerene offers a new insight into the skeletal modification of fullerenes.

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: J Am Chem Soc Año: 2022 Tipo del documento: Article País de afiliación: China

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: J Am Chem Soc Año: 2022 Tipo del documento: Article País de afiliación: China