EXPERIMENT SCALE OF REORGANIZATION FREE-ENERGY FOR DIATOMIC-MOLECULES IN THE GASEOUS-PHASE IN ELECTRON-TRANSFER PROCESSES .1. THE METHOD OF MODIFYING THE OSCILLATOR POTENTIAL

gOn the basis of a simple model of reorganization phenomenon and modified oscillator potential function, several new experiment scale methods of reorganization energy for gaseous diatomic molecule in electron-transfer processes are presented, and the structural reorganization index (reorganization radius of the reduced molecule) is given. By using perturbation theory and experimental spectroscopic data, the coefficient factors f and g of the modified potential function are determined. According to the self-exchange model, the effective calculation formulas which are a function off, g, and X are derived. Comparing results show that several different methods improve the George-Griffith model well, make reorganization energy decrease by different degrees, and tend toward more accurate results. Analysis also indicates that several scale methods work well for the species with a larger change of nuclear configuration before and after electron transfer, but the same is not true for the species with a smaller change of nuclear configuration; the modification is not obvious. In addition, it is found that using the vibrational frequency of anharmonic oscillator at the lowest vibrational state makes effective correction for reorganization energy.