A morphed intermolecular bending potential of OC–HCl Academic Article uri icon

abstract

  • A morphed intermolecular bending potential energy surface (PES) has been generated for the dimer OC-HCl. This morphed potential is determined from gas phase spectroscopic data and found to have a global minimum with a well depth of 694.9 cm-1 and linear OC-HCl geometry having RCM = 4.25 Å, θCO = 180.0°, θHCl = 180.0°, and φ{symbol} = 0.0°. The isomer CO-HCl is predicted with a well depth of 375.9 cm-1 and geometry RCM = 4.05 Å, θCO = 0.0°, θHCl = 180.0°, and φ{symbol} = 0.0°, which corresponds to a ΔE = 319.0 cm-1 between these potential energy minima. © 2006 Elsevier B.V. All rights reserved.

author list (cited authors)

  • Rivera-Rivera, L. A., Lucchese, R. R., & Bevan, J. W

complete list of authors

  • Rivera-Rivera, Luis A||Lucchese, Robert R||Bevan, John W

publication date

  • January 1, 2006 11:11 AM