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Quadruple bonding between iron and boron in the BFe(CO)3− complex

Author

Listed:
  • Chaoxian Chi

    (East China University of Technology)

  • Jia-Qi Wang

    (Tsinghua University)

  • Han-Shi Hu

    (Tsinghua University)

  • Yang-Yang Zhang

    (Tsinghua University)

  • Wan-Lu Li

    (Tsinghua University)

  • Luyan Meng

    (East China University of Technology)

  • Mingbiao Luo

    (East China University of Technology)

  • Mingfei Zhou

    (Fudan University)

  • Jun Li

    (Tsinghua University
    Southern University of Science and Technology)

Abstract

While main group elements have four valence orbitals accessible for bonding, quadruple bonding to main group elements is extremely rare. Here we report that main group element boron is able to form quadruple bonding interactions with iron in the BFe(CO)3- anion complex, which has been revealed by quantum chemical investigation and identified by mass-selected infrared photodissociation spectroscopy in the gas phase. The complex is characterized to have a B-Fe(CO)3− structure of C3v symmetry and features a B-Fe bond distance that is much shorter than that expected for a triple bond. Various chemical bonding analyses indicate that the complex involves unprecedented B≣Fe quadruple bonding interactions. Besides the common one electron-sharing σ bond and two Fe→B dative π bonds, there is an additional weak B→Fe dative σ bonding interaction. This finding of the new quadruple bonding indicates that there might exist a wide range of boron-metal complexes that contain such high multiplicity of chemical bonds.

Suggested Citation

  • 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.
    • Handle: RePEc:nat:natcom:v:10:y:2019:i:1:d:10.1038_s41467-019-12767-5
    DOI: 10.1038/s41467-019-12767-5
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    Cited by:

    1. 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.

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