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Probing the activated complex of the F + NH3 reaction via a dipole-bound state

Author

Listed:
  • Rui Zhang

    (Tsinghua University)

  • Shuaiting Yan

    (Tsinghua University)

  • Hongwei Song

    (Chinese Academy of Sciences)

  • Hua Guo

    (University of New Mexico)

  • Chuangang Ning

    (Tsinghua University)

Abstract

Experimental characterization of the transition state poses a significant challenge due to its fleeting nature. Negative ion photodetachment offers a unique tool for probing transition states and their vicinity. However, this approach is usually limited to Franck-Condon regions. For example, high-lying Feshbach resonances with an excited HF stretching mode (vHF = 2-4) were recently identified in the transition-state region of the F + NH3 → HF + NH2 reaction through photo-detaching FNH3− anions, but the direct photodetachment failed to observe the lower-lying vHF = 0,1 resonances and bound states due apparently to negligible Franck-Condon factors. Indeed, these weak transitions can be resonantly enhanced via a dipole-bound state (DBS) formed between an electron and the polar FNH3 species. In this study, we unveil a series of Feshbach resonances and bound states along the F + NH3 reaction path via a DBS by combining high-resolution photoelectron spectroscopy with high-level quantum dynamical computations. This study presents an approach for probing the activated complex in a reaction by negative ion photodetachment through a DBS.

Suggested Citation

  • Rui Zhang & Shuaiting Yan & Hongwei Song & Hua Guo & Chuangang Ning, 2024. "Probing the activated complex of the F + NH3 reaction via a dipole-bound state," Nature Communications, Nature, vol. 15(1), pages 1-7, December.
    • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-48202-7
    DOI: 10.1038/s41467-024-48202-7
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