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N2 cleavage by silylene and formation of H2Si(μ-N)2SiH2

Author

Listed:
  • Liyan Cai

    (Tongji University)

  • Bing Xu

    (Tongji University)

  • Juanjuan Cheng

    (Tongji University)

  • Fei Cong

    (Tongji University)

  • Sebastian Riedel

    (Freie Universität Berlin)

  • Xuefeng Wang

    (Tongji University)

Abstract

Fixation and functionalisation of N2 by main-group elements has remained scarce. Herein, we report a fixation and cleavage of the N ≡ N triple bond achieved in a dinitrogen (N2) matrix by the reaction of hydrogen and laser-ablated silicon atoms. The four-membered heterocycle H2Si(μ-N)2SiH2, the H2SiNN(H2) and HNSiNH complexes are characterized by infrared spectroscopy in conjunction with quantum-chemical calculations. The synergistic interaction of the two SiH2 moieties with N2 results in the formation of final product H2Si(μ-N)2SiH2, and theoretical calculations reveal the donation of electron density of Si to π* antibonding orbitals and the removal of electron density from the π bonding orbitals of N2, leading to cleave the non-polar and strong NN triple bond.

Suggested Citation

  • Liyan Cai & Bing Xu & Juanjuan Cheng & Fei Cong & Sebastian Riedel & Xuefeng Wang, 2024. "N2 cleavage by silylene and formation of H2Si(μ-N)2SiH2," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
    • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-48064-z
    DOI: 10.1038/s41467-024-48064-z
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    References listed on IDEAS

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    1. Marta Falcone & Lucile Chatelain & Rosario Scopelliti & Ivica Živković & Marinella Mazzanti, 2017. "Nitrogen reduction and functionalization by a multimetallic uranium nitride complex," Nature, Nature, vol. 547(7663), pages 332-335, July.
    2. Holger Braunschweig & Rian D. Dewhurst & Florian Hupp & Marco Nutz & Krzysztof Radacki & Christopher W. Tate & Alfredo Vargas & Qing Ye, 2015. "Multiple complexation of CO and related ligands to a main-group element," Nature, Nature, vol. 522(7556), pages 327-330, June.
    3. Philip P. Power, 2010. "Main-group elements as transition metals," Nature, Nature, vol. 463(7278), pages 171-177, January.
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