• Dynamics of atom tunnelling in a symmetric double well coupled to an asymmetric double well: The case of malonaldehyde

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      https://www.ias.ac.in/article/fulltext/jcsc/124/01/0013-0019

    • Keywords

       

      Intramolecular H-transfer; quenching of tunnelling; quantum phase space diagram; control of tunnelling; mean field dynamics.

    • Abstract

       

      The quantum dynamics of intramolecular H-atom transfer in malonaldehyde is investigated with a model two-dimensional Hamiltonian constructed with the help of available ab initio theoretical data on the relevant portion of the potential energy surface. At zero temperature, the H-atom transfer takes place by tunnelling leading to cis-cis isomerization while the cis-trans channel remains closed. Local excitation of the cis-trans mode by an external field is predicted to quench cis-cis tunnelling isomerization while excitation of the cis-cis mode is found to enhance the isomerization by tunnelling.

    • Author Affiliations

       

      S Ghosh1 S P Bhattacharyya1

      1. Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta 700 032, India
    • Dates

       
  • Journal of Chemical Sciences | News

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