Theoretical Evaluation of Atomic Polarizations of Diatomic Molecules

The atomic polarizations, PA (theor.), of five diatomic molecules, HCl, DCl, HBr, NO, and CO, have been calculated from an equation derived from dispersion theory (Van Vleck, 1927), using recent data obtained from infrared dispersion and absorption intensity measurements. These PA (theor.) values are compared with the PA (exp.) values obtained from dielectric constant and optical refractive index measurements. The greater accuracy of the PA (theor.) values is emphasized. The PA (theor.) values have been used to recalculate the dipole moments, μ, of the diatomic molecules considered. A qualitative relationship is discussed between the series of dμ/dr and μ values for some of the diatomic molecules. The PA (theor.) are calculated approximately for the gaseous alkali halides.