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