AN INVESTIGATION OF THE ``SOFT'' TORSIONAL MODES OF $(HF)_{3}$
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Date
1987
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Ohio State University
Abstract
$(HF)_{3}$ has been previously $shown^{1}$ through the investigation of the H-F stretch vibrational mode to exist in cyclic form in molecular beams. The work reported here marks our effort to extend the investigation of cyclic $(HF)_{3}$ to the soft modes which display torsional motion of the HF monomer subunits. A general computational approach has been implemented for the evaluation of the torsional state energies of weakly bonded n-mers. Essentially, this is a large-scale expansion of the n-coupled rotors, but neglects torsional-stretching interactions or coupling with intra-molecular vibraiton. We show how this can be applied to the $(HF)_{3}$ system, where we have used an idealized, electrostatic surface of Liu and $Dykstra^{2}$. The results of the theoretical study have been used to direct an experimental investigation of these same modes which is currently underway. Preliminary results of this investigation will be presented.
Description
$^{1}$ D.W. Michael and J. M. Lisy, J. Chem. Phys. 85, 2528 (1986). $_{2}$ S.-Y. Liu and C.E. Dykstra, Chem. Phys. 107, 343 (1986).
Author Institution: School of Chemical Sciences, University of Illinois at Urbana-Champaign
Author Institution: School of Chemical Sciences, University of Illinois at Urbana-Champaign