EXCHANGE-COULOMB POTENTIAL-ENERGY SURFACES, AND RELATED PHYSICAL-PROPERTIES, FOR KR-N-2

The construction of exchange-Coulomb (XC) potential energy models for closed shell atom-closed shell molecule interactions, based on earlier work for rare gas-rare gas interactions, is discussed with explicit a pplication to the Kr-N-2 interaction. The construction of the new XC p otential energy surface for Kr-N-2 is based on recent results for the Heitler-London interaction energy, the long range dispersion energies, and the microwave spectra for this dimer. The adjustable parameters i n the final XC potential are determined by fitting experimental second virial coefficients (all within experimental error), as a function of temperature, and three lines of the microwave spectra. With no furthe r adjustment of parameters the resulting potential yields excellent pr edictions for all the frequencies of all the microwave transitions stu died experimentally for seven isotopomers of Kr-N-2, and good agreemen t with experiment for the binary diffusion, the interaction viscosity, and the mixture viscosity coefficients of Kr-N-2 and for the cross se ctions associated with depolarized light scattering and nuclear spin r elaxation for the Kr-N-2 system. The agreement with experiment for the latter five properties is as good as can be expected from our scaled Mason-Monchick/infinite order sudden calculations for these properties . The final XC2 potential is apparently the most reliable potential to date for the Kr-N-2 interaction and provides a very suitable starting point for further studies of the Kr-N-2 system; the flexibility still inherent in the potential can be used, as required, for this purpose.