Title of article :
A morphed intermolecular bending potential of OC–HCl
Author/Authors :
Rivera-Rivera، نويسنده , , Luis A. and Lucchese، نويسنده , , Robert R. and Bevan، نويسنده , , John W.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
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 = 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 = 0.0°, which corresponds to a ΔE = 319.0 cm−1 between these potential energy minima.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters