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Related Experiment Videos

Vibrational predissociation of H5 +.

Vladimír Spirko1, Takayoshi Amano, Wolfgang P Kraemer

  • 1Institute for Astrophysics and Planetary Sciences, Ibaraki University, 2-1-1 Bunkyo, Mito 310-8512, Japan. spirko@marge.uochb.cas.cz

The Journal of Chemical Physics
|July 11, 2006
PubMed
Summary

Calculations of spectral linewidths for the hydrogen cluster ion (H5+) and its deuterated isotopomer (D5+) suggest that observed spectral broadening is primarily due to spectral congestion, not predissociation.

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Area of Science:

  • Physical Chemistry
  • Quantum Chemistry
  • Spectroscopy

Background:

  • The hydrogen cluster ion (H5+) exhibits complex vibrational spectra.
  • Understanding the spectral linewidths of H5+ and its isotopomers is crucial for characterizing its structure and dynamics.

Purpose of the Study:

  • To approximate the spectral linewidths of the H-H stretching modes for H5+ and D5+.
  • To investigate the contributions of predissociation and spectral congestion to the observed spectral shapes.

Main Methods:

  • Utilized a nine-dimensional vibrational Hamiltonian, reduced to a three-dimensional model.
  • Assumed adiabatic separability of H-H stretching and dissociation modes.
  • Treated skeletal vibrations as harmonic and disregarded internal propeller rotation.

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Main Results:

  • Calculated linewidths were insufficient to explain the broad observed spectral transitions.
  • The model suggests that spectral congestion is the primary factor for unresolved rotational structure.

Conclusions:

  • Predissociation plays a minor role in the spectral broadening of H5+.
  • Spectral congestion is the dominant cause for the lack of resolved rotational structure in observed H5+ bands.