Estimation of electrooptical parameters of EХ3 molecules in ground and excited states from empirical correlation equations

Abstract

Basing on the experimental data, it has been shown that for EХ₃ (E = N, P, As, or Sb; X = F, Cl, Br, I, CH₃, С₆Н₅, or SiH₃) compounds the value of the difference between first ionization potentials of atoms and molecules is a function of the bond angle and dipole moment of the molecule. The calculated values of dipole moments of charged atoms and groups are regularly changed within the considered compounds series. The change of the dipole moment of the molecules during the vibrational excitation has been determined, and intensities of symmetric stretching and deformation bands in IR spectra of EF₃ and ECl₃ compounds have been estimated.