ELECTRON-DIFFRACTION EVALUATION OF VIBRATIONAL POTENTIALS OF DIATOMIC-MOLECULES

The application of modern electron diffraction to the determination of vibrational potential parameters of diatomic molecules is demonstrated. The vibrational potential of a diatomic system is directly introduced into the Debye intensity equation through the density matrix. Using the electron diffraction data for iodine at T = 294 K the vibrational potential parameters re, ωe, k3 and k4 are determined. These values were then used for calculating vibrational spectroscopic averages rv = 〈1/r2〉 -1 2v for ν ≤ 5. The results agree with those obtained by spectroscopy within the uncertainties quoted. © 1979.