Potential functions of inversion of R2CO (R = H, F, Cl) molecules in the lowest excited electronic states

The inversion potentials of R2CO (R = H, F, Cl) molecules in the lowest exc ited electronic states were determined from experimental data using various model potential functions and approximations for the kinetic energy operat or of inversion motion. The estimates of the heights of the barriers to inv ersion and the equilibrium values of the inversion coordinate for the H2CO molecule in the S-1 and T-1 states are fairly stable. The results for the F 2CO and Cl2CO molecules are strongly dependent on the approximation used; f or these molecules, the most reliable parameters of the potential functions were chosen. The problem of qualitative characteristics of the shape of in version potentials is discussed using the results of ab initio quantum-chem ical calculations of the molecules under study.