MODEL POTENTIAL FUNCTIONS OF NONLINEAR XY2 MOLECULES

Several simple anharmonic potential functions with a moderate number of adjustable parameters were considered for nonlinear XY2 molecules. The ability of these functions to reproduce the general valence for field was tested by illustrative calculations for H2O, D2O, SO2, H2S, O3, NO2 and ClO2. Evidence is presented that the diatomic model approach, which effectively reduces the number of adjustable parameters, is a reasonable approximation when a complete set of spectroscopic data is not available. © 1990.