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Breaking a dative bond with mechanical forces

Author

Listed:
  • Pengcheng Chen

    (Princeton University)

  • Dingxin Fan

    (University of Texas at Austin)

  • Yunlong Zhang

    (ExxonMobil Research and Engineering Company)

  • Annabella Selloni

    (Princeton University)

  • Emily A. Carter

    (Princeton University
    University of California, Los Angeles)

  • Craig B. Arnold

    (Princeton University
    Princeton University)

  • David C. Dankworth

    (ExxonMobil Research and Engineering Company)

  • Steven P. Rucker

    (ExxonMobil Research and Engineering Company)

  • James R. Chelikowsky

    (University of Texas at Austin
    University of Texas at Austin
    University of Texas at Austin)

  • Nan Yao

    (Princeton University)

Abstract

Bond breaking and forming are essential components of chemical reactions. Recently, the structure and formation of covalent bonds in single molecules have been studied by non-contact atomic force microscopy (AFM). Here, we report the details of a single dative bond breaking process using non-contact AFM. The dative bond between carbon monoxide and ferrous phthalocyanine was ruptured via mechanical forces applied by atomic force microscope tips; the process was quantitatively measured and characterized both experimentally and via quantum-based simulations. Our results show that the bond can be ruptured either by applying an attractive force of ~150 pN or by a repulsive force of ~220 pN with a significant contribution of shear forces, accompanied by changes of the spin state of the system. Our combined experimental and computational studies provide a deeper understanding of the chemical bond breaking process.

Suggested Citation

  • Pengcheng Chen & Dingxin Fan & Yunlong Zhang & Annabella Selloni & Emily A. Carter & Craig B. Arnold & David C. Dankworth & Steven P. Rucker & James R. Chelikowsky & Nan Yao, 2021. "Breaking a dative bond with mechanical forces," Nature Communications, Nature, vol. 12(1), pages 1-7, December.
    • Handle: RePEc:nat:natcom:v:12:y:2021:i:1:d:10.1038_s41467-021-25932-6
    DOI: 10.1038/s41467-021-25932-6
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