Calculation and Interpretation of the Broadband Spectra of Liquid Water

摘要

Molecular models used for the calculation of the dielectric permittivity and absorption of liquid water are described. The low-frequency (Debye) spectrum, forming the basis for the dielectric spectroscopy of water, is analyzed. The molecular rotation of dipoles, which gives rise to broadband spectra, is considered in terms of combinations of the hat model and other models describing the contribution to the spectra of rotational vibrations of hydrogen-bonded water molecules. The results of calculations of the spectra of the complex dielectric permittivity and absorption of water in the frequency range 0-1000 cm~(-1) are presented. A significant difference between the far-infrared absorption spectra of ordinary and heavy water is interpreted.