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Lattice Vibrational Calculation of Orthorhombic Hydrogne Chloride

  • No Kyoung Tai (Department of Chemistry, Soong Jun University) ;
  • Jaon Mu Shik (Department of Chemistry, Korea Advanced Institute of Science and Technology, P.O. Box 150, cheong Ryang Ri)
  • Published : 1985.08.20

Abstract

The lattice vibrational calculation of orthorhombic hydrogen chloride is performed using physically realistic potential function which can reproduce the X-ray structure and heat of sublimation of the low temperature phase. The polar coordinates representation is introduced in order to describe the intermolecular interactions in a molecular crystal. The splitting in internal modes is calculated as 49 $cm^{-1}$ and the other modes are in good agreement with experimental results.

Keywords

References

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  1. Normal mode calculation and IR band assignments of A-type zeolite vol.75, pp.4, 1985, https://doi.org/10.1007/bf00533196
  2. The relation between zeolite framework structure and vibrational spectra vol.12, pp.3, 1985, https://doi.org/10.1016/s0144-2449(05)80295-7
  3. Deep inelastic neutron scattering from orthorhombic ordered HCl: Short-time proton dynamics and anomalous neutron cross sections vol.72, pp.5, 1985, https://doi.org/10.1103/physrevb.72.054119