Cluster Structure Model for 1,3-Propanediol and a Description of It Based on Dielectric Data

Approaches continue to be developed that relate static (ε_s) and complex (ε*) dielectric permittivity values to the structural features of compounds under study, particularly cluster parameters. For the first time, 1,3-propanediol (1,3-PD) is used as the object of study. Values of the static dielectric permittivity (ε_s), high-frequency dielectric permittivity (ε_∞DH), cluster dipole moment (μ_с(D)), intra- and intercluster correlation parameters (n_DH and m_DH), relaxation times (τ_DHexp= 1/ω_p, τ_DHmid, and τ_VFT), and apparent activation energy ($\Delta H_{\text{DHexp}}^{\#}$, $\Delta H_{\text{DHth}}^{\#}$, $\Delta H_{\text{VFT}}^{\#}$) for 1,3-PD are presented along with Z_HB = $H_{\exp }^{\#}$(T)/23.84 (423 K) as the number of H-bonds broken due to dielectric relaxation.