(a) Curves are derived from the Langevin-Debye formalism with the input values, n = 3.33*1022 for the number density of molecules per cc (for a molecular weight of 18.0g/mol and a mass density of 0.997g/cc for water), optical dielectric constant, ε0= 1.77, static dielectric constant; ε∞ = 78.5; and T = 298K. The black data points correspond to the general solution, whereas the red and green points are obtained for the limiting cases of zero dipole and linear response regime of the solvent, respectively. (b) The radial permittivity following corrections in the LD model due to Onsager (red) and Kirkwood (green). The parameters Cμ = 0.0695 and g = 2.80 are used to give the water dipole moments of
and
in the gas phase and liquid phase. The inset is a magnified view of region from 2–8 Å. (c) The different functional forms used to model the distance dependence of the dielectric constant. The parameters used for each functional form are described in the text. (d) The modified Langevin-Debye model calculated for all the four charges for the atoms of DME. We use the fits from Eq. (14) (long dash –––) and Eq. (15) (short dash– – –) and the parameters in Table 1. The curves fit for q=1 are displayed. The inset is a magnified view of regions from 2–6 Å.