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The unusual quadruple bonding of nitrogen in ThN.
Fei, Zejie; Wang, Jia-Qi; Tang, Rulin; Lu, Yuzhu; Han, Changcai; Wang, Yongtian; Hong, Jing; Dong, Changwu; Hu, Han-Shi; Xiong, Xiao-Gen; Ning, Chuangang; Liu, Hongtao; Li, Jun.
Afiliación
  • Fei Z; Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800, China.
  • Wang JQ; Department of Chemistry, Tsinghua University, Beijing, 100084, China.
  • Tang R; College of Science, Beijing Forestry University, Beijing, 100083, China.
  • Lu Y; Department of Physics, State Key Laboratory of Low Dimensional Quantum Physics, Collaborative Innovation Center of Quantum Matter, Tsinghua University, Beijing, 100084, China.
  • Han C; Department of Physics, State Key Laboratory of Low Dimensional Quantum Physics, Collaborative Innovation Center of Quantum Matter, Tsinghua University, Beijing, 100084, China.
  • Wang Y; Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800, China.
  • Hong J; Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800, China.
  • Dong C; Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800, China.
  • Hu HS; University of Chinese Academy of Sciences, Beijing, 100049, China.
  • Xiong XG; Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800, China.
  • Ning C; Department of Chemistry, Tsinghua University, Beijing, 100084, China.
  • Liu H; Sino-French Institute of Nuclear Engineering and Technology, Sun Yat-sen University, Zhuhai, 519082, China. xiongxg@mail.sysu.edu.cn.
  • Li J; Department of Physics, State Key Laboratory of Low Dimensional Quantum Physics, Collaborative Innovation Center of Quantum Matter, Tsinghua University, Beijing, 100084, China. ningcg@tsinghua.edu.cn.
Nat Commun ; 14(1): 7677, 2023 Nov 24.
Article en En | MEDLINE | ID: mdl-37996410
Nitrogen has five valence electrons and can form a maximum of three shared electron-pair bonds to complete its octet, which suggests that its maximum bond order is three. With a joint anion photoelectron spectroscopy and quantum chemistry investigation, we report herein that nitrogen presents a quadruple bonding interaction with thorium in ThN. The quadruple Th≣N bond consists of two electron-sharing Th-N π bonds formed between the Th-6dxz/6dyz and N 2px/2py orbitals, one dative Th←N σ bond and one weak Th←N σ bonding interaction formed between Th-6dz2 and N 2s/2pz orbitals. The ThC molecule has also been investigated and proven to have a similar bonding pattern as ThN. Nonetheless, due to one singly occupied σ-bond, ThC is assigned a bond order of 3.5. Moreover, ThC has a longer bond length as well as a lower vibrational frequency in comparison with ThN.

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Nat Commun Asunto de la revista: BIOLOGIA / CIENCIA Año: 2023 Tipo del documento: Article País de afiliación: China

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Nat Commun Asunto de la revista: BIOLOGIA / CIENCIA Año: 2023 Tipo del documento: Article País de afiliación: China