• Title of article

    Probing the accuracy of the isomerization energy of the 3-D morphed potential of Ar–HBr

  • Author/Authors

    Willaert، نويسنده , , F.F. and McElmurry، نويسنده , , B.A. and Lucchese، نويسنده , , R.R. and Bevan، نويسنده , , J.W.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2008
  • Pages
    6
  • From page
    525
  • To page
    530
  • Abstract
    Investigations of the lowest Σ-bending vibrations of Ar–DBr (v = 0) and Ar–HBr (v = 1) are reported using a co-axially configured submillimeter supersonic jet spectrometer. The v = 1 spectra were obtained using glow discharge excitation. Analyses of hyperfine substructure in these spectra provide accurate molecular parameters for Ar–DBr and Ar–BrD isomeric states, direct determination of their corresponding isomerization energies, and respective parameters in the v = 1 HBr stretching vibration of the Ar–HBr isotopomer. This experimental data provides a sensitive probe of the relative energies of potential minima for previously determined 3-D Ar–HBr morphed potential and compared with results from extrapolations to the CCSD(T)/CBS limit.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2008
  • Journal title
    Chemical Physics Letters
  • Record number

    1924605