Wide Nematogenic Azomethine/Ester Liquid Crystals Based on New Biphenyl Derivatives: Mesomorphic and Computational Studies

Alamro, Fowzia S.; Tolan, Dina A.; El‐Nahas, Ahmed M.; Ahmed, Hoda A.; El‐Atawy, Mohamed A.; Al-Kadhi, Nada S.; Aziz, Saadullah G.; Shibl, Mohamed F.

doi:10.3390/molecules27134150

Cited by 22 publications

(13 citation statements)

References 61 publications

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“…As demonstrated in Table 1 and Figure 3 , all members of the current series ( In ) are enantiotropic, have acceptable thermal stabilities, and have mesomorphic temperature ranges. The mesomorphic behavior of any proposed liquid crystalline architecture is generally determined by the type of bridging groups and the length of terminal chains [ 49 , 50 ]. The melting points (Cr–to–SmC) follow a regular pattern, as illustrated in Table 1 and Figure 3 .…”

Section: Resultsmentioning

confidence: 99%

Novel Imidazole Liquid Crystals; Experimental and Computational Approaches

et al. 2022

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The liquid crystalline materials named (E)-4-(2-(4-oxo-5,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazineylidene)methyl)phenyl and 4-(alkoxy)benzoate, In, were synthesized and their mesomorphic behaviors were examined. The chemical structures of the produced compounds were confirmed by Fourier-transform infrared spectroscopy (FT-IR), NMR, and elemental analysis. Differential scanning calorimetry (DSC) and polarized optical microscopy were used to investigate the mesomorphic properties of designed heterocyclic derivatives. All the compounds tested had suitable thermal stability and enantiotropic behavior of smectogenic temperature ranges. Furthermore, the enantiotropic smectic C phases were observed to cover all the homologues. Moreover, computational investigations corroborated the experimental findings of the mesomorphic behavior. The reactivity parameters were computed for the derivatives and linked with the experimental data. Theoretical calculations revealed that the polarizability of the studied series increases with the chain length, whereas the HOMO–LUMO energy gap or other reactivity descriptors were less sensitive to the size of the system. On the other hand, the predicted thermodynamic parameters revealed the size dependence of thermal stability of the compounds.

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Section: Resultsmentioning

confidence: 99%

Novel Imidazole Liquid Crystals; Experimental and Computational Approaches

et al. 2022

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“…According to earlier reports [24,32], the type of the phase and its stability are mostly determined by the dipole moment of the mesogenic component of the molecule, which varies depending on the polar groups present and its steric impact, which subsequently varies based on the volume and location of the substituent. Moreover, adding terminals to an LC material has two opposing effects: first, a decrease in phase stability due to the steric influence of the terminal substituent [33,34], and second, an increase or decrease in molecular anisotropy depending on the polarizing effect of the substituent. The position and polarity of the coupled lateral and terminal groups determine the dipole moment of the entire compound.…”

Section: Thermal and Mesomorphic Propertiesmentioning

confidence: 99%

Mesomorphic, Computational Investigations and Dyeing Applications of Laterally Substituted Dyes

et al. 2022

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Two groups of laterally substituted non-mesomorphic and liquid crystalline materials bearing monoazo group were prepared and investigated via experimental and theoretical techniques. The molecular structures of the designed dyes were evaluated by FT-IR and NMR spectroscopic analyses. Mesomorphic examinations for all synthesized dyes were investigated by polarized optical microscopy (POM) and differential scanning calorimetry (DSC). Results revealed that, the thermal and optical properties of investigated compounds are mainly dependent on their molecular geometry. The optimized geometries of the azo derivatives and their electronic absorption of the dyes were carried out using the B3LYP/6-311G level of the DFT method. The azo dyes were measured for their dyeing performance on polyester fabrics. The dyed fabrics have excellent fastness properties with a color strength of 1.49–3.43 and an exhaustion rate of 82–64%. The chemical descriptor parameters of disperse azo dyes in gas phase were calculated and correlated with dyeing parameters.

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“…Thermal analysis methods also allow for the study of crystallisation and melting processes, which are crucial for the detection of polymorphic forms of the compound, which, as is known, may exhibit distinct biological activities [ 6 , 7 , 8 ]. Furthermore, the DSC measurements are employed to study phase change materials [ 9 , 10 , 11 ] that are widely used in various engineering applications.…”

Section: Introductionmentioning

confidence: 99%

TG-DSC and TG-FTIR Studies of Annelated Triazinylacetic Acid Ethyl Esters—Potential Anticancer Agents

et al. 2023

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To avoid problems associated with the storage and processing of newly developed potential medicines, there is a need to carry out thermal studies in the preclinical phase of drug development. The thermal behaviour and decomposition pathway of a whole novel class of patented potential molecular pharmaceutics, i.e., ethyl 2-[4-oxo-8-(R-phenyl)-4,6,7,8-tetrahydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetates (1–6) were reported for the first time in inert and oxidative atmospheres. The experiments were conducted with the use of simultaneous thermogravimetry/differential scanning calorimetry (TG-DSC) and simultaneous thermogravimetry coupled with Fourier transform infrared spectroscopy (TG-FTIR). The decomposition pathways of compounds 1–6 were found to be different under oxidative and inert conditions. It was proven that the investigated molecules reveal higher thermal stability under a synthetic air atmosphere than under a nitrogen atmosphere, and their decomposition is preceded by the melting process. Among all the investigated compounds, only the meta-chloro derivative (4) was found to exhibit interesting polymorphic behaviour at a low heating rate (10 °C min−1). It was proven that the oxidative decomposition process of the studied molecules proceeds in three overlapping stages accompanied by strong exothermic effects. Additionally, it was concluded that the title compounds were stable up to a temperature of 195–216 °C in an atmosphere of synthetic air, and their thermal stability decreased in the order of R at the benzene ring: 4-CH3 > 3,4-Cl2 > 4-Cl > H > 2-OCH3 > 3-Cl.

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Wide Nematogenic Azomethine/Ester Liquid Crystals Based on New Biphenyl Derivatives: Mesomorphic and Computational Studies

Cited by 22 publications

References 61 publications

Novel Imidazole Liquid Crystals; Experimental and Computational Approaches

Novel Imidazole Liquid Crystals; Experimental and Computational Approaches

Mesomorphic, Computational Investigations and Dyeing Applications of Laterally Substituted Dyes

TG-DSC and TG-FTIR Studies of Annelated Triazinylacetic Acid Ethyl Esters—Potential Anticancer Agents

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