Relative permittivity data of binary mixtures containing 2-butanol, 2-butanone, and cyclohexane

Permittivities, Refractive Indices, Densities, and Excess Properties for Binary Systems Containing 1-Alkanols and Cyclopentanone

“…In our previous publications, − the dielectric, optical, and related excess data were reported for several H-bond donor/H-bond acceptor systems. Mainly heavy alcohols and noncyclic ketones were selected in the dielectric and optical studies, as they show a range of different behaviors.…”

A Geometric Approach for the Calculation of the Nonrandomness Factor Using Computational Chemistry

“…In this work, a combination of the DFT hybrid functional B3LYP , with the basis set 6-311++G was used. The molecules were considered to be in a cavity within a liquid solvent composed of molecules of their own, and solvation was described according to the Polarizable Continuum Model (PCM). − This model is used to simulate the solute cavity via a set of overlapping spheres and requires the knowledge of dielectric constants, refractive indices, densities, and molar masses for each chemical species, which can be seen in Table S2, − in the Supporting Information. In addition, after the geometry optimization, a population analysis of the electrons was performed using the Natural Bond Orbital (NBO) function to determine orbital electronic densities and the consequent electrical charge distribution.…”

Experimental determination and modeling of the volumetric properties, refractive indices and viscosities of the volumetric properties, refractive indices and viscosities of the multicomponent organic solvent mixtures

“…Alifatični ketoni niže molarne mase su stabilne, bezbojne tečnosti uglavnom prijatnog, blago aromatičnog mirisa [31]. Ketoni su rastvorljivi u organskim rastvaračima, a budući da je karbonilna grupa odličan akceptor vodonične veze, niži ketoni su dobro rastvorljivi i u vodi [36].…”