Knowledge Bank

Infrared band intensities can be decomposed into molecular polar parameters. These parameters are used to characterize polar properties of the molecules and for prediction of vibrational intensities. In this work the theoretical aspects and some applications of a recently developed $procedure1$ for parametric interpretation of IR intensities are discussed. The polar parameters used represent derivatives of the total dipole moment with respect to linear and angular coordinates describing vibrational displacements of individual valence bonds in a molecule. Some recent advances in the theoretical approach will be presented. $\mathrm{<mrow\; data-mjx-texclass="ORD">1</mrow>}$B. Galabov, J. Chem. Phys. 74, 1599 (1981).