A New Modification of Morse Potential Energy Function

Document Type : Research Paper




Interaction of meso — tetrakis (p-sulphonato phenyl) porphyrin (hereafter abbreviated to TSPP)
with Na+ has been examined using HF level of theory with 6-31G* basis set. Counterpoise (CP)
correction has been used to show the extent of the basis set superposition error (BSSE) on the
potential energy curves. The numbers of Na+ have a significant effect on the calculated potential
energy curve (including position, depth, and width of the potential well).