scholarly journals Effect of the Relative Positions of Di-Laterally Substituted Schiff Base Derivatives: Phase Transition and Computational Investigations

Crystals ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 870
Author(s):  
Fowzia S. Alamro ◽  
Hoda A. Ahmed ◽  
Saheed A. Popoola ◽  
Hamud A. Altaleb ◽  
Khulood A. Abu Al-Ola ◽  
...  
Keyword(s):  
Molecular Structures ◽  
Experimental Measurements ◽  
Positional Isomers ◽  
Scanning Calorimetry ◽  
Polarized Optical Microscopy ◽  
Schiff Base Derivatives ◽  
Elemental Analyses ◽  
Ft Ir ◽  
Mesomorphic Properties ◽  
Ft Ir Spectroscopy

Two new laterally di-substituted derivatives namely, (E)-4-(((2-Chlorophenyl)imino)methyl)-3-methoxyphenyl 4-(alkoxy)benzoate, were designed and investigated for their mesomorphic properties. Elucidation of their molecular structures was carried out by elemental analyses, NMR and FT-IR, spectroscopy. Phase transitions were examined by differential scanning calorimetry (DSC) and polarized optical microscopy (POM). The optimized geometrical architectures of both compounds were deduced theoretically using GAUSSIAN 09 program. In order to establish the most probable conformation for each compound, four probable conformations were predicted for their positional isomers which vary according to the orientations of the two lateral groups. The results were used to correlate the experimental measurements with the predicted conformations. The study revealed that the investigated derivatives are non-mesomorphic and the orientations, as well as positions of the two-lateral groups, have a significant effect on the molecular packing of the molecules, their geometrical and thermal parameters.

scholarly journals Synthesis, Mesomorphic and Computational Characterizations of Nematogenic Schiff Base Derivatives in Pure and Mixed State

Molecules ◽  
2021 ◽  
Vol 26 (7) ◽  
pp. 2038
Author(s):  
Laila A. Al-Mutabagani ◽  
Latifah A. Alshabanah ◽  
Hoda A. Ahmed ◽  
Hafsa H. Alalawy ◽  
Mayada H. Al alwani
Keyword(s):  
Density Functional ◽  
Molecular Structures ◽  
Geometrical Parameters ◽  
Molecular Architecture ◽  
Aromatic Rings ◽  
Scanning Calorimetry ◽  
Binary Phase ◽  
Schiff Base Derivatives ◽  
Elemental Analyses ◽  
Ft Ir

Homolog series based on three aromatic rings bearing terminal alkoxy chain of various lengths named 4-(4-(alkoxy)phenylimino)methyl)phenyl nicotinate (An) were synthesized. The alkoxy-chain length changed between 6, 8 and 16 carbons. Mesomorphic and optical properties were carried out via differential scanning calorimetry (DSC) and polarized optical microscopy (POM). Elemental analyses, FT-IR and NMR spectroscopy were carried out to elucidate the molecular structures of the prepared derivatives. Mesomorphic results indicated that all the synthesized homologs (An) are monomorphic possessing the nematic (N) phase enantiotropically with wide thermal stability. Computational simulations were measured via density functional theory (DFT) theoretical calculation tool. The estimated thermal and geometrical parameters are in agreement with the experimental data. By discussing the estimated parameters, it was found that the molecular architecture, dipole moment and the polarizability of the investigated compounds are highly affected by the length of the attached terminal flexible chain and the location of the nitrogen atom in the other terminal aromatic ring. Binary phase diagrams of two corresponding homologs with different proportionating terminals were constructed, and their binary phase physical properties were discussed in terms of the temperature range and stability of the N phase.

scholarly journals New Nitro-Laterally Substituted Azomethine Derivatives; Synthesis, Mesomorphic and Computational Characterizations

Molecules ◽  
2021 ◽  
Vol 26 (7) ◽  
pp. 1927
Author(s):  
Mohamed A. El-atawy ◽  
Magdi M. Naoum ◽  
Salma A. Al-Zahrani ◽  
Hoda A. Ahmed
Keyword(s):  
Experimental Data ◽  
Molecular Geometry ◽  
Alkoxy Group ◽  
Molecular Structures ◽  
The Other ◽  
Molecular Architecture ◽  
Scanning Calorimetry ◽  
Elemental Analyses ◽  
Ft Ir ◽  
Chain Lengths

Two new homologues series, based on two rings of the azomethine central group bearing the terminal alkoxy group of various chain lengths, were prepared. The alkoxy chain length varied between 6 and 16 carbons. The other terminal wing in the first series was the F atom, and the compound is named N-4-florobenzylidene-4-(alkoxy)benzenamine (In). The second group of compounds included a lateral NO2 substituent in addition to the terminal F atom, named N-(4-fluoro-3-nitrobenzylidene)-4-(alkyloxy)aniline (IIn). Mesomorphic and optical properties were carried out via differential scanning calorimetry (DSC) and polarized optical microscopy (POM). Elemental analyses, FT-IR, and NMR spectroscopy were carried out to elucidate the molecular structures of the synthesized groups. Mesomorphic investigations indicated that all the synthesized homologues (In) were monomorphic, possessing the smectic A (SmA) phase monotropically, while the second group (IIn) members were non-mesomorphic. The experimental data indicated that the formation of the mesophase is affected by the protrusion of the lateral nitro group. The disruption of the mesophase in the second group was attributed to the increase of its molecular width, which affects its lateral intermolecular interactions. The computational simulations were in agreement with the experimental data. On the other hand, the location of NO2 group within the molecular geometry increased the melting temperature of the molecule, and thus, affected their thermal and physical properties. By discussing the estimated parameters, it was found that the molecular architecture, the dipole moment, and the polarizability of the investigated compounds are highly affected by the electronic nature and position of the terminal and lateral substituents as well as their volumes.

scholarly journals Synthesis, Thermal and Optical Characterizations of New Lateral Organic Systems

Crystals ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 551
Author(s):  
Laila Ahmed. Al-Mutabagani ◽  
Latifah A. Alshabanah ◽  
Sobhi M. Gomha ◽  
Hoda A. Ahmed
Keyword(s):  
Methoxy Group ◽  
13C Nmr Spectroscopy ◽  
Molecular Structures ◽  
Phenyl Ester ◽  
Scanning Calorimetry ◽  
1H And 13C Nmr ◽  
Polarized Optical Microscopy ◽  
Organic Systems ◽  
Temperature Ranges ◽  
Ft Ir

New laterally OCH3-substituted optical organic Schiff base/ester series, namely 4-(4-(hexyloxyphenyl)iminomethyl)-3-methoxyphenyl 4-alkoxybenzoates, were prepared and characterized with different thermal, mesomorphic, and photoactive techniques. The prepared group constitutes five homologues that differ from each other in the number of carbons in the terminal alkoxy chain (n), which varies between n = 6, 8, 10, 12, and 16 carbons. The laterally protruded methoxy group is attached to the central benzene ring that makes an angle of 120° with the molecular long axis. Molecular structures of all newly prepared homologues were fully elucidated via FT-IR, 1H and 13C NMR spectroscopy. Mesomorphic transitions were determined via differential scanning calorimetry (DSC) and the phases identified by polarized optical microscopy (POM). Independent of the length of the terminal alkoxy chain attached to phenyl ester ring, only a monomorphic nematic (N) phase was observed for all the synthesized compounds. A comparative study was made between the present lateral methoxy-substituted homologues and their corresponding laterally-neat analogues. The results revealed that, depending on the length of the alkoxy chain and the presence or absence of the lateral methoxy group, different mesophases with different thermal stability and temperature ranges were observed. Finally, UV-vis spectra showed that the present nematogenic series possess photoactive properties that are of importance for many applications.

scholarly journals Induced Nematic Phase of New Synthesized Laterally Fluorinated Azo/Ester Derivatives

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4546
Author(s):  
Fowzia S. Alamro ◽  
Hoda A. Ahmed ◽  
Mohamed A. El-Atawy ◽  
Salma A. Al-Zahrani ◽  
Alaa Z. Omar
Keyword(s):  
Theoretical Data ◽  
Molecular Structures ◽  
Scanning Calorimetry ◽  
Polar Groups ◽  
Ir And Nmr Spectroscopy ◽  
Terminal Substituent ◽  
Computational Calculations ◽  
Elemental Analyses ◽  
Ft Ir ◽  
Polar Substituents

A new series of laterally fluorinated mesomorphic compounds, namely 2-fluoro-4-((4-(alkyloxy)phenyl)diazenyl)phenyl 4-substitutedbenzoate (Inx) were prepared and evaluated for their mesophase behavior. The synthesized series constitutes five members that possess different terminally attached polar groups (X). Their molecular structures were confirmed by elemental analyses and both FT-IR and NMR spectroscopy. Examination of the prepared derivatives was conducted via experimental and theoretical tools. Mesomorphic investigations were carried by polarized optical microscopy (POM) and differential scanning calorimetry (DSC). DSC and POM measurements indicated that except for the un-substituted analogue, all other derivatives were purely nematogenic, possessing their nematic (N) mesophase enantiotropically. This is to say that insertions of terminal polar substituents on their mesogenic structures induced the N phase. In addition, the location of lateral and terminal polar moieties played a considerable role in achieving good thermal N stability. Computational calculations were investigated to determine the deduced optimized molecular structures. Theoretical data indicated that both size and polarity of the terminal substituent (X) have essential impact on the thermal parameters and optical properties of possible geometries.

scholarly journals Synthetic, Mesomorphic, and DFT Investigations of New Nematogenic Polar Naphthyl Benzoate Ester Derivatives

Materials ◽  
2021 ◽  
Vol 14 (10) ◽  
pp. 2587
Author(s):  
Salma A. Al-Zahrani ◽  
Hoda A. Ahmed ◽  
Mohamed A. El-atawy ◽  
Khulood A. Abu Al-Ola ◽  
Alaa Z. Omar
Keyword(s):  
Density Functional ◽  
Energy Gap ◽  
Molecular Structures ◽  
Experimental Investigations ◽  
Geometrical Parameters ◽  
Polar Group ◽  
Scanning Calorimetry ◽  
Structural Shape ◽  
Elemental Analyses ◽  
Ft Ir

Four new non-symmetrical derivatives based on central naphthalene moiety, 4-((4–(alkoxy)phenyl) diazenyl)naphthalen–1–yl 4–substitutedbenzoate (In/x), were prepared, and their properties were investigated experimentally and theoretically. The synthesized materials bear two wing groups: an alkoxy chain of differing proportionate length (n = 6 and 16 carbons) and one terminal attached to a polar group, X. Their molecular structures were elucidated via elemental analyses and FT-IR and NMR spectroscopy. Differential scanning calorimetry (DSC) and polarized optical microscopy (POM) were carried out to evaluate their mesomorphic properties. The results of the experimental investigations revealed that all the synthesized analogues possess only an enantiotropic nematic (N) mesophase with a high thermal stability and broad range. Density functional theory (DFT) calculations were in accordance with the experimental investigations and revealed that all prepared materials are to be linear and planar. Moreover, the rigidity of the molecule increased when an extra fused ring was inserted into the center of the structural shape, so its thermal and geometrical parameters were affected. Energy gap predictions confirmed that the I16/c derivative is more reactive than other compounds.

scholarly journals Discotic Liquid Crystals Based on Cu(I) Complexes with Benzoylthiourea Derivatives Containing a Perfluoroalkyl Chain

2018 ◽  
Vol 2018 ◽  
pp. 1-10
Author(s):  
Monica Iliş ◽  
Viorel Cîrcu
Keyword(s):  
Liquid Crystalline ◽  
Large Temperature ◽  
Discotic Liquid Crystals ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Polarized Optical Microscopy ◽  
X Ray ◽  
Ir And Nmr Spectroscopy ◽  
Hexagonal Columnar ◽  
Mesomorphic Properties

Mesomorphic three-coordinate copper(I) complexes ([Cu(BTU)2X], where X = Cl or Br) based on a new N-benzoylthiourea (BTU) ligand with two decyloxy and one perfluorooctyl groups at its periphery were designed and prepared. The BTU ligand coordinates via the S atom in a neutral monodentate fashion as confirmed by IR and NMR spectroscopy data. The liquid crystalline behavior of these copper(I) complexes was investigated by a combination of polarized optical microscopy (POM), differential scanning calorimetry (DSC), and X-ray diffraction analysis (XRD), while their thermal stability was studied by thermogravimetric analysis (TGA). These new copper(I) complexes have mesomorphic properties and exhibit a hexagonal columnar mesophase over a large temperature range, more than 100°C.

GROWTH AND STUDIES OF PROPERTIES OF COPPER SUCCINATE DIHYDRATE SINGLE CRYSTALS

2013 ◽  
Vol 27 (11) ◽  
pp. 1350073
Author(s):  
M. P. BINITHA ◽  
P. P. PRADYUMNAN
Keyword(s):  
Differential Scanning Calorimetry ◽  
Dielectric Constant ◽  
Single Crystals ◽  
Scanning Calorimetry ◽  
Force Microscopy ◽  
Atomic Force ◽  
Different Temperatures ◽  
Triclinic Structure ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

Single crystals of copper succinate dihydrate (CSD) with triclinic structure were grown in silica gel medium. The functional groups in the crystal were analyzed by FT-IR Spectroscopy. Atomic Force Microscopy (AFM) revealed the striations on the surface of grown crystals, which were incorporated during its time of growth. Thermal degradation studies have been carried out by Differential Scanning Calorimetry (DSC). Dielectric constant and AC conductivity have been estimated as a function of frequency at different temperatures.

Synthesis and Mesomorphic Properties of a Series of Cholesteric Liquid Crystals

2010 ◽  
Vol 663-665 ◽  
pp. 759-762 ◽  
Author(s):  
Qing Lan Ma ◽  
Yuan Ming Huang
Keyword(s):  
Phase Transition ◽  
Differential Scanning Calorimetry ◽  
Liquid Crystal ◽  
Liquid Crystals ◽  
Optical Microscopy ◽  
Scanning Calorimetry ◽  
Polarized Optical Microscopy ◽  
Phase Transition Temperatures ◽  
Second Category ◽  
Mesomorphic Properties

A series of cholesterol liquid crystal compounds was synthesized. Phase-transition temperatures and mesomorphic textures of these synthesized compounds were characterized with differential scanning calorimetry and polarized optical microscopy, respectively. In these molecules the terminal ester chains CnH2n-1COO-, where n was the number of carbon atoms in the terminal ester chains, were linked to the cholesterol core. All of the synthesized cholesterol compounds exhibited mesophases for the first heating. However, as temperature decreased from their clearing points, their micrographs can also be divided into two categories, the first category exhibits branch-like mesophase textures for n in the range of 1-10 while the second category exhibits branch-like crystal textures for n in the range of 11-18.

scholarly journals Thermotropic and lyotropic behaviour of new liquid-crystalline materials with different hydrophilic groups: synthesis and mesomorphic properties

2013 ◽  
Vol 9 ◽  
pp. 425-436 ◽  
Author(s):  
Alexej Bubnov ◽  
Miroslav Kašpar ◽  
Věra Hamplová ◽  
Ute Dawin ◽  
Frank Giesselmann
Keyword(s):  
Liquid Crystalline ◽  
Molecular Structures ◽  
Scanning Calorimetry ◽  
Crystalline Materials ◽  
Smectic Phases ◽  
Chiral Nematic ◽  
Nematic Phases ◽  
Liquid Crystalline Materials ◽  
Hydroxy Groups ◽  
Mesomorphic Properties

Several new calamitic liquid-crystalline (LC) materials with flexible hydrophilic chains, namely either hydroxy groups or ethylene glycol units, or both types together, have been synthesized in order to look for new functional LC materials exhibiting both, thermotropic and lyotropic behaviour. Such materials are of high potential interest for challenging issues such as the self-organization of carbon nanotubes or various nanoparticles. Thermotropic mesomorphic properties have been studied by using polarizing optical microscopy, differential scanning calorimetry and X-ray scattering. Four of these nonchiral and chiral materials exhibit nematic and chiral nematic phases, respectively. For some molecular structures, smectic phases have also been detected. A contact sample of one of the prepared compounds with diethylene glycol clearly shows the lyotropic behaviour; namely a lamellar phase was observed. The relationship between the molecular structure and mesomorphic properties of these new LCs with hydrophilic chains is discussed.

scholarly journals Characterization of the Spindle Morphology Nanomicelles Assembled from Sericin and Gelatin

2017 ◽  
Vol 2017 ◽  
pp. 1-9
Author(s):  
Xiaozhou Su ◽  
Lei Li ◽  
Weihan Huang
Keyword(s):  
Electron Microscopy ◽  
Protein Concentration ◽  
Scanning Calorimetry ◽  
Force Microscopy ◽  
Atomic Force ◽  
Transmission Electron ◽  
Ft Ir ◽  
And Storage ◽  
Ft Ir Spectroscopy

Complex nanomicelles were prepared by sericin and type A gelatin with molecular weight of 5789 Da and 128664 Da separately. The assembling conditions were as follows: mass ratio (sericin/gelatin) was 1 : 1, protein concentration was 0.5%, temperature was 35°C, and assembling time was 18 hours. Scanning electron microscopy (SEM), atomic force microscopy (AFM), transmission electron microscopy (TEM), Fourier transform infrared (FT-IR) spectroscopy, differential scanning calorimetry (DSC), and dynamic light scattering (DLS) were conducted to observe and characterize the complex nanomicelles. Results showed that the complex sericin/gelatin micelles was a kind of nanospindle micelles. The micelles had high electrochemical stability, thermal stability, antidilution stability, and storage stability.

Sign in / Sign up

Export Citation Format

Share Document