Physical and Thermal Characterizations of Newly Synthesized Liquid Crystals Based on Benzotrifluoride Moiety

Abstract

The mesomorphic stability and optical activity of new group-based benzotrifluoride liquid crystals, (E)-4-(((4-(trifluoromethyl) phenyl) imino) methyl) phenyl 4-(alkyloxy)benzoate, or In, were investigated. The end of the molecules connected to the benzotrifluoride moiety and the end of the phenylazo benzoate moiety have terminal alkoxy groups which can range in chain length from 6 to 12 carbons. The synthesized compounds’ molecular structures were verified using FT-IR, 1H NMR, mass spectroscopy, and elemental analysis. Mesomorphic characteristics were verified using differential scanning calorimetry (DSC) and a polarized optical microscope (POM). All of the homologous series that have been developed display great thermal stability across a broad temperature range. Density functional theory (DFT) determined the examined compounds’ geometrical and thermal properties. The findings showed that every compound is entirely planar. Additionally, by using the DFT approach, it was possible to link the experimentally found values of the investigated compounds’ investigated compounds’ mesophase thermal stability, mesophase temperature ranges, and mesophase type to the predicted quantum chemical parameters.

Mesophase Behavior of Molecules Containing Three Benzene Rings Connected via Imines and Ester Linkages

“…By modeling the MEP of liquid crystal molecules, researchers can predict how these molecules will behave in an electric field and design new liquid crystal materials with improved properties. Furthermore, MEP is also important for understanding the behavior of liquid crystals in solution . The interaction between liquid crystal molecules and solvents can affect their stability, solubility, and other physical properties.…”

“…Furthermore, MEP is also important for understanding the behavior of liquid crystals in solution. 13 The interaction between liquid crystal molecules and solvents can affect their stability, solubility, and other physical properties. By measuring the MEP of the solvents, researchers can determine which solvents are most compatible with certain liquid crystal molecules and optimize the formulation of liquid crystal solutions.…”

“…The effective synthesis of ten new derivatives with bis-Schiff base linking units, ((E)-4-((4-(trifluoromethyl)phenyl)diazenyl)phenyl 4-alkoxybenzoate, provided for experimental and theoretical investigation of both thermal and optical properties. 1 H NMR, 13 C NMR, and elemental studies were used to confirm their molecular structures. By using DSC and POM instruments, the mesomorphic and optical activity of produced compounds were examined.…”

“…The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acsomega.4c01564. Full characterization information for prepared materials, including 1 H NMR, 13 C NMR data, and computational methods (PDF)…”

“…Many different kinds of liquid crystal compounds have been synthesized using Schiff bases as a connecting group. − The primary forms of connectors within the cores are functional groups with dipole associations, such as ester or amido groups. , The production, kind, mesomorphic stability, and temperature range of the mesomorphic material have all been observed to be significantly influenced by the central bridges and the end groups. − Numerous thermotropic liquid crystals of the Schiff base type and low molar masses have been created and studied. − Additionally, it has been noted that several mesogenic homologous series include two central connections, one of which may be an ester and the other an azomethine. , Sometimes, traditional methods of new material design and development may not yield satisfactory results. Therefore, finding an alternative route becomes an urgent need.…”