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Related Experiment Videos

Double tunneling: An overlooked quantum effect in anionic molecular clusters

Jungwirth1, Spirko

  • 1J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejskova 3, 18223 Prague 8, Czech Republic.

Physical Review Letters
|October 4, 2000
PubMed
Summary

Simultaneous electron and nuclear tunneling occurs in hydrogen-bonded clusters with dipole-bound electrons. This double tunneling significantly reduces the tunneling splitting compared to neutral clusters, offering a new quantum phenomenon.

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Area of Science:

  • Quantum Chemistry
  • Molecular Physics
  • Chemical Physics

Background:

  • Hydrogen-bonded molecular clusters can support dipole-bound electrons.
  • Quantum mechanical tunneling is a fundamental phenomenon in molecular systems.

Purpose of the Study:

  • To report the simultaneous tunneling of electrons and nuclei in hydrogen-bonded molecular clusters.
  • To predict a class of systems exhibiting this double tunneling effect.
  • To identify a measurable signature for double tunneling.

Main Methods:

  • Theoretical quantum mechanical calculations were employed.
  • The hydrogen fluoride dimer anion was used as a model system.

Main Results:

  • Simultaneous electron and nuclear tunneling was reported in hydrogen-bonded molecular clusters.

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  • A strong reduction in tunneling splitting compared to neutral clusters was identified as a signature of double tunneling.
  • For the hydrogen fluoride dimer anion, the ground-state tunneling splitting was calculated to be 114 MHz.
  • The first excited vibrational state exhibited a tunneling splitting of 4.20 GHz.

    • Conclusions:

    • The study predicts that hydrogen halide and water dimer anions are likely to exhibit simultaneous electron and nuclear tunneling.
    • The observed reduction in tunneling splitting provides experimental evidence for this quantum mechanical effect.
    • This finding opens new avenues for exploring complex quantum phenomena in molecular systems.