Probing the accuracy of the isomerization energy of the 3-D morphed potential of Ar–HBr Academic Article uri icon

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. © 2008 Elsevier B.V. All rights reserved.

author list (cited authors)

  • Willaert, F. F., McElmurry, B. A., Lucchese, R. R., & Bevan, J. W

complete list of authors

  • Willaert, FF||McElmurry, BA||Lucchese, RR||Bevan, JW

publication date

  • January 1, 2008 11:11 AM