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Intramolecular vibrational dynamical barrier due to extremely irrational couplings

机译:由于极不合理的耦合而产生的分子内振动动力屏障

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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 H2O 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.
机译:以水的三模态为例,与共振耦合相反,证明了由于极不合理的耦合引起的分子内振动动力学。极不合理的耦合被显示出对分子内振动弛豫(IVR)的强大阻碍,以至于它们充当了屏障。它们限制了两个拉伸模式之间的直接动作/能量传递,尽管它们允许在拉伸模式和弯曲模式之间传递。相反,共振更多地由弯曲模式来介导,并导致混沌的IVR。还显示出,在动态空间中存在共振和极不合理的耦合共存的区域。

著录项

  • 来源
    《中国物理:英文版》 |2007年第10期|2952-2956|共5页
  • 作者

  • 作者单位

    Molecular and Nano Sciences Laboratory, Department of Physics, Tsinghua University, Beijing 100084, China;

    Molecular and Nano Sciences Laboratory, Department of Physics, Tsinghua University, Beijing 100084, China;

  • 收录信息 中国科学引文数据库(CSCD);中国科技论文与引文数据库(CSTPCD);
  • 原文格式 PDF
  • 正文语种 chi
  • 中图分类 物理学;
  • 关键词

    intramolecular vibrational relaxation, extremely irrational couplings, resonance;

    机译:分子内振动弛豫;非理性耦合;共振;
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