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The unusual quadruple bonding of nitrogen in ThN

Author

Listed:
  • Zejie Fei

    (Shanghai Institute of Applied Physics, Chinese Academy of Sciences)

  • Jia-Qi Wang

    (Tsinghua University
    Beijing Forestry University)

  • Rulin Tang

    (Collaborative Innovation Center of Quantum Matter, Tsinghua University)

  • Yuzhu Lu

    (Collaborative Innovation Center of Quantum Matter, Tsinghua University)

  • Changcai Han

    (Shanghai Institute of Applied Physics, Chinese Academy of Sciences)

  • Yongtian Wang

    (Shanghai Institute of Applied Physics, Chinese Academy of Sciences)

  • Jing Hong

    (Shanghai Institute of Applied Physics, Chinese Academy of Sciences
    University of Chinese Academy of Sciences)

  • Changwu Dong

    (Shanghai Institute of Applied Physics, Chinese Academy of Sciences)

  • Han-Shi Hu

    (Tsinghua University)

  • Xiao-Gen Xiong

    (Sun Yat-sen University)

  • Chuangang Ning

    (Collaborative Innovation Center of Quantum Matter, Tsinghua University)

  • Hongtao Liu

    (Shanghai Institute of Applied Physics, Chinese Academy of Sciences)

  • Jun Li

    (Tsinghua University)

Abstract

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.

Suggested Citation

  • Zejie Fei & Jia-Qi Wang & Rulin Tang & Yuzhu Lu & Changcai Han & Yongtian Wang & Jing Hong & Changwu Dong & Han-Shi Hu & Xiao-Gen Xiong & Chuangang Ning & Hongtao Liu & Jun Li, 2023. "The unusual quadruple bonding of nitrogen in ThN," Nature Communications, Nature, vol. 14(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-43208-z
    DOI: 10.1038/s41467-023-43208-z
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    References listed on IDEAS

    as
    1. Chaoxian Chi & Jia-Qi Wang & Han-Shi Hu & Yang-Yang Zhang & Wan-Lu Li & Luyan Meng & Mingbiao Luo & Mingfei Zhou & Jun Li, 2019. "Quadruple bonding between iron and boron in the BFe(CO)3− complex," Nature Communications, Nature, vol. 10(1), pages 1-6, December.
    2. Hong-Tao Liu & Xiao-Gen Xiong & Phuong Diem Dau & Yi-Lei Wang & Dao-Ling Huang & Jun Li & Lai-Sheng Wang, 2013. "Probing the nature of gold–carbon bonding in gold–alkynyl complexes," Nature Communications, Nature, vol. 4(1), pages 1-7, October.
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