Study of Intermolecular Interactions in Liquid Butane-1,4-Diol-Water Mixtures by Means of Measuring Their ¹H-NMR Spectra and Analysis of Their Physicochemical Properties

Abstract

The ¹H-NMR spectra of butane-1,4-diol (BD-1,4)-water (H₂O) mixtures as function of concentration were recorded at 298 K and the spectral parameter, Δδ(BD-1,4-H₂O) data were evaluated. From literature values of density (d _{1 2}), viscosity (η_{1 2}) and dielectric permittivities (ε₁₂), molar volumes (V ₁₂), kinematic viscosities (η₁₂/d ₁₂) and their deviations from “ideality” were calculated. Further on, the temperature coefficients of the dielectric permittivity, α₁₂ = (1/ε₁₂) [dε₁₂/d(1/T)], were found. These structural parameters as functions of concentration suggest the formation of the “complexes” (sub-units) of the BD-1,4-2 H₂O, 2 BD-1,4·3 H₂O and 2 BD- 1,4·H₂O types.

Key Words:

• ¹H-NMR spectra
• intermolecular interactions
• binary mixtures