QUADRUPOLE COUPLING CONSTANT AND ELECTRONIC STRUCTURE OF COMPOUNDS ЭХ3

Abstract

For the series of molecules type ЭХ3 (Э = N, As, Sb; X = F, Cl, Br, J) obtained quantitative relations between the values of the quadrupole coupling constants e2Qq and parameters J and μэ3-, characterizing the relative magnitude of the spatial redistribution of the valence electrons of ions Э3- at varying Э and X. The difference observed dependences e2Qq off the dipole moments of the ions μэ3-, to the molecules in the gas and solid phases explained due to the influence of the crystal lattice field. Explored the dependence values of the NQR frequencies ν off the dipole moments of the ions μэ3-.

Keywords

• ionization potential
• electron pair
• dipole moment
• quadrupole coupling constant
• nqr frequencies