中国物理B ›› 2007, Vol. 16 ›› Issue (10): 2952-2956.doi: 10.1088/1009-1963/16/10/022

• ATOMIC AND MOLECULAR PHYSICS • 上一篇    下一篇

Intramolecular vibrational dynamical barrier due to extremely irrational couplings

区树清, 吴国祯   

  1. Molecular and Nano Sciences Laboratory, Department of Physics, Tsinghua University, Beijing 100084, China
  • 收稿日期:2007-03-04 修回日期:2007-03-15 出版日期:2007-10-08 发布日期:2007-10-08
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No~20373030) and the Foundation for Key Program of Ministry of Education, China (Grant No~306020) and the Specialized Research Fund for the Doctoral Program of Higher Educatio

Intramolecular vibrational dynamical barrier due to extremely irrational couplings

Ou Shu-Ching(区树清) and Wu Guo-Zhen(吴国祯)†   

  1. Molecular and Nano Sciences Laboratory, Department of Physics, Tsinghua University, Beijing 100084, China
  • Received:2007-03-04 Revised:2007-03-15 Online:2007-10-08 Published:2007-10-08
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No~20373030) and the Foundation for Key Program of Ministry of Education, China (Grant No~306020) and the Specialized Research Fund for the Doctoral Program of Higher Educatio

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摘要： The intramolecular vibrational dynamics due to extremely irrational couplings is demonstrated by contrast to the resonance couplings, for the three-mode case of H$_2$O as an example. The extremely irrational couplings are shown to impose such strong hindrance to intramolecular vibrational relaxation (IVR) that they act as barriers. They restrict the direct action/energy transfer between the two stretching modes, though they allow the transfer between a stretching and a bending modes. In contrast, the resonance is more mediated by the bending mode and leads to chaotic IVR. It is also shown that there is a region in the dynamical space in which resonance and extremely irrational couplings coexist.

Abstract: The intramolecular vibrational dynamics due to extremely irrational couplings is demonstrated by contrast to the resonance couplings, for the three-mode case of H$_2$O as an example. The extremely irrational couplings are shown to impose such strong hindrance to intramolecular vibrational relaxation (IVR) that they act as barriers. They restrict the direct action/energy transfer between the two stretching modes, though they allow the transfer between a stretching and a bending modes. In contrast, the resonance is more mediated by the bending mode and leads to chaotic IVR. It is also shown that there is a region in the dynamical space in which resonance and extremely irrational couplings coexist.

Key words: intramolecular vibrational relaxation, extremely irrational couplings, resonance

中图分类号:  (Rotation, vibration, and vibration-rotation constants)

  • 33.15.Mt
31.15.-p (Calculations and mathematical techniques in atomic and molecular physics) 33.20.Tp (Vibrational analysis) 33.15.Hp (Barrier heights (internal rotation, inversion, rotational isomerism, conformational dynamics))