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Dynamical resonance in F+H2 chemical reaction and rotational excitation effect

  • Progress/Physical Chemistry
  • Published:
Chinese Science Bulletin

Abstract

Reaction resonance is a frontier topic in chemical dynamics research, and it is also essential to the understanding of mechanisms of elementary chemical reactions. This short article describes an important development in the frontier of research. Experimental evidence of reaction resonance has been detected in a full quantum state resolved reactive scattering study of the F+H2 reaction. Highly accurate full quantum scattering theoretical modeling shows that the reaction resonance is caused by two Feshbach resonance states. Further studies show that quantum interference is present between the two resonance states for the forward scattering product. This study is a significant step forward in our understanding of chemical reaction resonance in the benchmark F+H2 system. Further experimental studies on the effect of H2 rotational excitation on dynamical resonance have been carried out. Dynamical resonance in the F+H2 (j = 1) reaction has also been observed.

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References

  1. Dai D, Wang C C, Harich S A, et al. Interference of quantized transition-state pathways in the H+D2→D+HD chemical reaction. Science, 2003, 300(5626): 1730–1733

    Article  PubMed  CAS  Google Scholar 

  2. Harich S A, Dai D, Wang C C, et al. Forward scattering due to slow-down of the intermediate in the H+HD→D+H2 reaction. Nature, 2002, 419(6904): 281–284

    Article  PubMed  CAS  Google Scholar 

  3. Skodje R T, Yang X. The observation of quantum bottleneck states. Int Rev Phys Chem, 2004, 23(2): 253–287

    Article  CAS  Google Scholar 

  4. Schatz G C, Bowman J M, Kuppermann A. Large quantum effects in the collinear F+H2→FH+H reaction. J Chem Phys, 1973, 58(9): 4023–4025

    Article  CAS  Google Scholar 

  5. Wu S-F, Johnson B R, Levine R D. Quantum mechanical computational studies of chemical reactions: III. Collinear A + BC reaction with some model potential energy surfaces. Mol Phys, 1973, 25(4): 839–856

    Article  CAS  Google Scholar 

  6. Neumark D M, Wodtke A M, Robinson G N, et al. Experimental investigation of resonances in reactive scattering: The F + H2 reaction. Phys Rev Lett, 1984, 53(3): 226–229

    Article  CAS  Google Scholar 

  7. Aoiz F J, Banares L, Herrero V J, et al. Classical dynamics for the F + H2→HF + H reaction on a new ab initio potential energy surface. A direct comparison with experiment. Chem Phys Lett, 1994, 223(3): 215–226

    Article  CAS  Google Scholar 

  8. Castillo J F, Manolopoulos D E, Stark K, et al. Quantum mechanical angular distributions for the F+H2 reaction. J Chem Phys, 1996, 104(17): 6531–6546

    Article  CAS  Google Scholar 

  9. Skodje R T, Skouteris D, Manolopoulos D E, et al. Resonance-mediated chemical reaction: F+HD→HF+D. Phys Rev Lett, 2000, 85: 1206–1209

    Article  PubMed  CAS  Google Scholar 

  10. Rusin L Y, Sevryuk M B, Toennies J P. Comparison of experimental time-of-flight spectra of the HF products from the F+H2 reaction with exact quantum mechanical calculations. J Chem Phys, 2005, 122(13): 134314

    Article  PubMed  Google Scholar 

  11. Nizkorodov S A, Harper W W, Chapman W B, et al. Energy-dependent cross sections and nonadiabatic reaction dynamics in F(2P3/2,2P1/2) + n-H2→HF(v,J) + H. J Chem Phys, 1999, 111(18): 8404–8416

    Article  CAS  Google Scholar 

  12. Hayes M, Gustafsson M, Mebel A M, et al. An improved potential energy surface for the F+H2 reaction. Chem Phys, 2005, 308(3): 259–266

    Article  CAS  Google Scholar 

  13. Skouteris D, Castillo J F, Manolopoulos D E. ABC: a quantum reactive scattering program. Comput Phys Commun, 2000, 133(1): 128–135

    Article  CAS  Google Scholar 

  14. Qiu M, Ren Z, Che L, et al. Observation of feshbach resonances in the F+H2→HF+H reaction. Science, 2006, 311(5766): 1440–1443

    Article  PubMed  CAS  Google Scholar 

  15. Zare R N. Enhanced: Resonances in reaction dynamics. Science, 2006, 311(5766): 1383–1385

    Article  PubMed  CAS  Google Scholar 

  16. Ren Z, Che L, Qiu M, et al. Detecting feshbach resonances in F+H2 (j = 1) reaction: Effect of single quantum H2-rotation. J Chem Phys, 2006, 125(15): 151102

    Article  PubMed  Google Scholar 

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Authors and Affiliations

  1. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China

    Yang XueMing & Zhang DongHui

  2. Institute of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210093, China

    Xie DaiQian

Authors
  1. Yang XueMing
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  2. Xie DaiQian
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  3. Zhang DongHui
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Corresponding author

Correspondence to Yang XueMing.

Additional information

Supported by the Chinese Academy of Sciences, the National Natural Science Foundation of China (Grant Nos. 20328304, 10574068, 20533060 and 20525313) and the Ministry of Science and Technology

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Yang, X., Xie, D. & Zhang, D. Dynamical resonance in F+H2 chemical reaction and rotational excitation effect. Chin. Sci. Bull. 52, 1009–1012 (2007). https://doi.org/10.1007/s11434-007-0158-4

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  • DOI: https://doi.org/10.1007/s11434-007-0158-4

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