MOLECULAR DYNAMICS IN $(HBr)_{2}$
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Date
1998
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Publisher
Ohio State University
Abstract
Rovibrational analysis of $\nu_{1}\pm$ and $\nu_{2}\pm$ bands in isotopomers of $(HBr)_{2}$ recorded in a supersonic jet using a high frequency wavelength modulation diode laser spectrometer will be reported. In addition, the broken symmetry band associated with the $\nu_{2}+$ in $H^{79}Br-H^{81}Br$. has been observed and analyzed, providing information relevant to the tunneling dynamics in the dimer. These experimental results will be combined with extended basis set ab-initio calculations on the dimer to model its molecular dynamics. The results will be compared with previous investigations of the dynamics of $(HF)_{2}$ and $(HCl)_{2}$. In addition, combination bands associated with intermolecular vibrations in the complex will be interpreted.
Description
Author Institution: Department of Chemistry, Texas A\&M University