A morphed intermolecular bending potential of OC-HCl
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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 , CO = 180.0, HCl = 180.0, and {symbol} = 0.0. The isomer CO-HCl is predicted with a well depth of 375.9 cm-1 and geometry RCM = 4.05 , CO = 0.0, HCl = 180.0, and {symbol} = 0.0, which corresponds to a E = 319.0 cm-1 between these potential energy minima. 2006 Elsevier B.V. All rights reserved.