Andhra Loyola College

Structure and phase analysis of 4-Octyloxybiphenyl-4[Formula: see text]-yl-4-Methoxybenzoate (OBMB) has been conducted during orientational and translational molecular motions. Various dipole moment elements and atomic charges have been calculated by implementing the complete neglect differential overlap (CNDO/2) approximation. The revised perturbation approximation of Rayleigh–Schrodinger together with multipole expansion approach has been utilized to estimate the long and a “6-exp” potential used in short-range mode interactions. These obtained values of energy during the various interaction modes are used for the calculation of the probability of a selected configuration at room temperature (300[Formula: see text]K). The impact of noninteracting and nonmesogenic solvents (benzene) has been analyzed. This analysis offers an understanding of the flexibility of a molecular configuration, in particular the phase structure along with phase transition.

This study investigates the mol. interactions in binary mixtures of 3-pentanol with three di-Me aniline isomers (2,4-di-Me aniline, 2,5-di-Me aniline and 2,6-di-Me aniline) at various temperaturesThe excess molar volume, excess isentropic compressibility, deviation in viscosity and excess Gibbs free energy of activation of viscous flow were determined from measured values of densities, speeds of sound and viscosities.The data were analyzed to determine excess properties and deviations from ideal behavior, highlighting the predominance of mol. interactions such as hydrogen bonding and dipole-dipole interactions.The exptl. results were correlated with the Jouyban-Acree model, which effectively relates the observed thermodn. properties to the composition of the mixturesThis correlation allows for a deeper understanding mol. interactions influence the properties of these binary mixtures across different temperatures

Molybdenum-doped Zinc Oxyfluoro Alumina Borophosphate Glasses with the composition 10 B₂O₃ -77 P₂O₅ -5 Al₂O₃ - (4-x/2) ZnO - (4-x/2) ZnF₂; x MoO₃ (where x = 0, 0.1, 0.2, 0.3, 0.4, and 0.5) were synthesized.The produced glasses have been characterized using XRD, SEM, and EDAX techniques.The impact on molybdenum ion coordination states changed in the glass network is investigated via DTA, FTIR, Raman, OA, and ESR spectroscopy, in conjunction with an evaluation of their mech. properties through elastic parameters.Spectroscopic studies confirmed the coexistence of molybdenum ions in a couple of oxidation states.FTIR and Raman spectral deconvolution revealed the presence of [MoO₆] and [Mo₂O₇] structural devices in the glass network.The effects indicated that molybdenum ions exist as Mo⁶⁺ (occupying each octahedral and tetrahedral position) and Mo⁵⁺ (occupying octahedral positions), with the redox ratio growing as MoO₃ concentration increases.