Hot-stage Optical Microscopy Research Articles

Polypropylene Composites with Biochars from Miscanthus and Tomato Biomass – Part I: Thermal and Structural Properties

ABSTRACT A study of biochar/polypropylene composites has been conducted to describe the influence of biochars on the supermolecular structure of PP. The first stage of the work described the influence of carbonization on the properties of carbon fillers (tomato and miscanthus). The biochar was added to the polymer matrix, and the composite samples were manufactured by extrusion and injection molding. The influence of the fillers was investigated using WAXS, hot-stage optical microscopy, PLM microscopy, FTIR and ASTM designation. There were showed the strong influence of the biochar fillers on the properties of polypropylene matrix in composite materials. Obtained composites were characterized by the satisfying properties.

Molecular organization and molecular order of two rod-like smectogens in mesophases

ABSTRACT Structurally simple two rod-like mesogens with a three-ring core consisting of biphenyl and phenyl rings are synthesised to investigate the mesophase properties, molecular organisation and the orientational order parameter. In mesogen-1, a dodecyloxy terminal chain is present on the biphenyl ring while the phenyl ring is free from substituent. For mesogen-2, in addition to the dodecyloxy chain, the butyl chain is placed on the phenyl ring. The Hot-stage optical polarising microscopy (HOPM) and differential scanning calorimetry (DSC) measurements show smectic A (SmA), smectic B (SmB), and crystal E (CryE) phases for mesogen-1 and SmA, smectic C (SmC) and smectic F (SmF) phases for mesogen-2. The presence of smectic mesophases is established by X-ray Diffraction (XRD). 1D and 2D 13C solid-state NMR experiments are performed in smectic mesophases to find the orientational order parameters of the phenyl rings of the core. The main order parameter (Szz) of the mesogens in the SmB and SmF phase is in the range of 0.87–0.93. The excellent spectral resolution noticed in 13C NMR spectra in the SmB mesophase (mesogen-1) indicates that the internal rotations of the molecules along the long axis are primarily unhindered.

Designed new mesogens via Vilsmeier–Haack reagent: synthesis and phase transition study

ABSTRACT A new four series of 2,2′-([1,1′- phenyl or biphenyl]-4,4′-diylbis(azanediyl)) bis(N′-((E)-1-(4-alkoxyphenyl) ethylidene) acetohydrazide) [V-XI]a,b and 1,1′-(2,2′-([1,1′- phenyl or biphenyl]-4,4′-diyl bis(azanediyl)) bis- (acetyl)) bis(3-(4-ethoxyphenyl)-1H-pyrazole-4-carbalde hyde) [XII-XVIII]a,b have been synthesized by varying terminal lateral alkoxy chain length (n = 1–3, 5–8), central linkage group (phenyl or biphenyl) and induced pyrazole heterocyclic ring in the main chain. The last two series were synthesized by the cyclization of substituted acetophenone hydrazones with Vilsmeier–Haack reagent (DMF/POCl3) to produce 4-formylpyrazole derivatives. The chemical structures of the synthesized compounds were examined by elemental analysis, FTIR and 1H-NMR. The results are in agreement with the considered molecular structure. The liquid crystalline behaviors were studied by using hot-stage optical polarizing microscopy (OPM) and differential scanning calorimetry (DSC). The correlation between the molecular structures and mesomorphic behavior and transition temperatures was discussed.

Experimental study on thermotropic side-chain liquid crystalline photo-sensitive polymers

When the chalcone moiety and methylene spacers are bonded to polymer backbone, they are expected to incorporate photosensitive and liquid crystalline properties, respectively. The thermotropic side-chain liquid crystalline photosensitive polymers were synthesized using 4-phenyl styryl carbonyl (phenyl-4-oxy-4-hexyl) methacrylate (PSCPOHMA) and 4-phenyl styryl carbonyl (phenyl-4-oxy-4-decyl) methacrylate (PSCPODMA) monomers by free-radical polymerization using benzoyl peroxide (BPO) as an initiator. The structures of the synthesized monomers and polymers were confirmed by FT-IR, 1H NMR and 13C NMR techniques. The thermal stability and glass transition temperature of the poly (PSCPOHMA) were higher than that of the poly (PSCPODMA). The photocrosslinking of the polymers on irradiation with UV light established that the polymers followed 2π + 2π cyclo addition. The rate of crosslinking increased with increase in the length of the methylene chain. The mesophase of the polymers was also characterized using x-ray diffraction analysis. The liquid crystalline behavior of the polymers was confirmed by DSC and Hot stage optical polarized microscopy (HOPM).The polymers exhibited nematic phase in HOPM. So the polymers have high potential for application in photo resists and electro optic technology.

Innovative ionic liquids as functional agent for wood-polymer composites

Chemical modification of lignocellulosic fillers is a hydrophobization process that has been used for years in the production of wood-polymer composites (WPCs). However, finding new, more effective modifiers is still a big challenge and remains the subject of much research. This study involved the chemical modification of wood with the use of newly designed ammonium and imidazolium ionic liquids containing reactive functional groups. The effectiveness of the modification was confirmed using FTIR and XRD techniques. The effect of modification of wood on the supermolecular structure and morphology of wood-polymer composites was investigated by X-ray diffraction, hot stage optical microscopy and differential scanning calorimetry. A significant influence of the modifier structure on the shaping of polymorphic varieties of the polymer matrix was demonstrated. The chemical modification also had significant effect on the nucleating properties of the wood fillers, which was confirmed by the determined crystallization parameters (crystallization half-time, crystallization temperature, crystal conversion). Moreover, the formation of a transcrystalline PP layer was noticed, which showed a large variation depending on the structure of the used ionic liquid. The obtained results correlated very well with the results of mechanical tests. It has been shown that it is possible to precisely design an ionic liquid containing a reactive functional group capable of interacting with hydroxyl groups of cellulose molecules. Moreover, the possibility of functionalizing the lignocellulosic material with innovative ionic liquids without the need to use organic solvents has not been demonstrated so far.Graphic abstract

Salts and Polymorph Screens for Bedaquiline

Bedaquiline is used to treat multi-resistant tuberculosis in adults. The fumarate salt is commercially available and used in the product Sirturo. To provide open access to bedaquiline molecule once the patent on the chemical substance expires, new salts were screened. This work offers additional information on the bedaquiline system, as new salts may present better pharmacokinetic properties. The current studies focus on the attempted isolation of the acetate, benzoate, benzenesulfonate, hydrobromide, succinate, hydrochloride, tartrate, lactate, maleate, malate, and mesylate salts of bedaquiline. Potential salts were screened using a unique combination of conventional screening, and small-scale experiments supplemented by crystallographic analysis and infrared microspectroscopy. Salts were prepared on a larger scale by dissolving 1:1 ratios of the individual salt formers and bedaquiline base (30 mg, 0.055 mmol) in different solvents and allowing the solutions to evaporate or crystallize. X-ray diffraction (XRD) techniques and spectroscopic and thermal analyses were employed to characterize the salts. The benzoate and maleate salts were selected as lead candidates after reviewing preliminary characterization data. To determine the most stable forms for the leads, a polymorph screen was conducted using solvents of various polarities. These salt screens successfully generated five new salts of bedaquiline, namely, benzoate, maleate, hydrochloride, besylate, and mesylate. The existence of these salts was confirmed by powder XRD, proton NMR, and IR spectroscopies. TGA and DSC thermal analysis along with hot-stage optical microscopy were further used to characterize the salts. The polymorph screen conducted on the salts suggested the absence of additional polymorphs at 1 g scale.

Production of Nanocellulose by Enzymatic Treatment for Application in Polymer Composites.

In the last few years, the scientific community around the world has devoted a lot of attention to the search for the best methods of obtaining nanocellulose. In this work, nanocellulose was obtained in enzymatic reactions with strictly defined dispersion and structural parameters in order to use it as a filler for polymers. The controlled enzymatic hydrolysis of the polysaccharide was carried out in the presence of cellulolytic enzymes from microscopic fungi—Trichoderma reesei and Aspergillus sp. It has been shown that the efficiency of bioconversion of cellulose material depends on the type of enzymes used. The use of a complex of cellulases obtained from a fungus of the genus Trichoderma turned out to be an effective method of obtaining cellulose of nanometric dimensions with a very low polydispersity. The effect of cellulose enzymatic reactions was assessed using the technique of high-performance liquid chromatography coupled with a refractometric detector, X-ray diffraction, dynamic light scattering and Fourier transform infrared spectroscopy. In the second stage, polypropylene composites with nanometric cellulose were obtained by extrusion and injection. It was found by means of X-ray diffraction, hot stage optical microscopy and differential scanning calorimetry that nanocellulose had a significant effect on the supermolecular structure, nucleation activity and the course of phase transitions of the obtained polymer nanocomposites. Moreover, the obtained nanocomposites are characterized by very good strength properties. This paper describes for the first time that the obtained cellulose nanofillers with defined parameters can be used for the production of polymer composites with a strictly defined polymorphic structure, which in turn may influence future decision making about obtaining materials with controllable properties, e.g., high flexibility, enabling the thermoforming process of packaging.

Study of crystallization behaviour of electron beam irradiated polypropylene and high-density polyethylene.

The influence of electron-beam irradiation on polypropylene (PP) and high-density polyethylene (HDPE) was investigated with a focus on crystallization. A high-temperature (200°C) creep test revealed that the HDPE gradually increased cross-linking density in the range 30–120 kGy, while the PP underwent a chain scission which was quantitatively evaluated by gel permeation chromatography. The mechanical properties were measured in the range -150 to 200°C by a dynamic mechanical analysis. A small presence of C=C and C=O bonds was found in the irradiated PP by a Fourier transform infrared spectroscopy. Crystallization kinetics measured by differential scanning calorimetry and hot-stage optical microscopy results were influenced tremendously by irradiation for HDPE and to a lesser extent for PP. Irradiation caused a decrease in both the number of nucleation centres and the growth rate of individual spherulites. Crystallization was analysed in detail with the help of Hoffman–Lauritzen, Avrami and Arrhenius equations. Interestingly an increasing β-crystal formation with an increasing irradiation level was discovered for PP by X-ray diffraction. A generation of defects in the crystalline structure owing to irradiation was discussed.

13C NMR investigations and molecular order of nematogens with biphenyl and bithiophene at terminus

ABSTRACT Four rod-like mesogens in which biphenyl and bithiophene units are located at one terminus are synthesised and the occurrence of enantiotropic nematic phase is established by hot-stage optical polarising microscopy and differential scanning calorimetry. For biphenyl based mesogens (BP-1 and BP-2), the mesophase is observed irrespective of number of phenyl rings in the amine moiety. For bithiophene (BT-1), on the other hand, the mesophase is only noted when the amine component has two rings. The mesophase range for BP-1 is found to be 163.7◦C and for BT-1 and BP-2, the values are 84.7◦C and 11.1◦C, respectively. BP-1 and BT-1 are subjected to 13C NMR investigation in nematic phase to determine the local order and accordingly, oriented 1D 13C and 2D SAMPI-4 NMR experiments are accomplished. The remarkable feature of the SAMPI-4 spectrum of BP-1 measured at 145◦C in nematic phase is observation of the 13C-1H dipolar coupling value of 16.67 kHz for terminal carbon (C18). For BT-1, however, the dipolar coupling value for C18 is found to be 8.60 kHz in nematic phase (138◦C). Such large values of 13C-1H dipolar couplings for the terminal ring carbons of the nematogens offer orientation of the rings of the core unit directly.

Influence of wood thermal modification on the supermolecular structure of polypropylene composites

AbstractThe thermal modification of wood can be an interesting way of improving adhesion in polymer composites, although the mechanical properties of composites with heat treated wood presented so far in many works arouse much controversy. In this work, effects of thermal modification of wood on the supermolecular structure and morphology of wood/polypropylene composites (WPC) were investigated using X‐ray diffraction, hot stage optical microscopy, and differential scanning calorimetry. A significant impact of the conditions of thermal wood modification on the formation of polymorphic varieties of the polymer matrix has been demonstrated. Furthermore, thermal treatment also affected the nucleation activity of wood, which was confirmed by determined parameters such as, crystal conversion, half crystallization time, and crystallization temperature. In addition, differences in the formation of transcrystalline structures responsible for the level of interfacial adhesion were depicted based on hot stage optical microscopy. Mechanical tests have shown that obtaining the appropriate strength properties of composite materials depends on the selection of appropriate conditions for thermal modification, which determine the supermolecular structure and nucleation activity. The obtained results, not reported so far, are extremely important when designing WPC composite materials with strictly defined physicochemical parameters.

Synthesis and characterization of symmetrical liquid crystalline compounds based on oxazole and thaizole rings

Twelve compounds containing a sulphur- or oxygen-based heterocyclic core, 1,3- oxazole or 1,3-thiazole ring with hydroxy, methoxy and methyl terminal substituent, were synthesized and characterized. The molecular structures of these compounds were performed by elemental analysis and different spectroscopic tequniques. The liquid crystalline behaviors were studied by using hot-stage optical polarizing microscopy and differential scanning calorimetry. All compounds of 1,4- disubstituted benzene core with oxazole ring display liquid crystalline smectic A (SmA) mesophase. The compounds of 1,3- and 1,4-disubstituted benzene core with thiazole ring exhibit exclusively enantiotropic nematic liquid crystal phases.

Molecular Order of Topologically Variant Flexible Mesogens by 13C Nuclear Magnetic Resonance.

13C nuclear magnetic resonance investigations in the nematic phase of mesogens comprising a rod-like core with three phenyl rings connected to a fourth phenyl ring via a flexible spacer are reported. The molecules are abbreviated as monomer, dimer, and trimer as they comprised one, two, and three pairs of core and spacer combinations linked to ring IV, respectively. Hot-stage optical polarizing microscopy and differential scanning calorimetry studies confirmed that all of them exhibit an enantiotropic nematic phase with additional monotropic or enantiotropic smectic mesophases. Large values of 13C-1H dipolar couplings of the order of 11 kHz are observed for all the cases for the terminal carbon C1 of the core unit. These high values indicated that the corresponding CH vector is collinear with the long axis of the molecule, which itself is aligned parallel to the magnetic field. In contrast, the terminal carbon of the ring IV (C19/C17) exhibits a relatively smaller value in the range of 2.0-2.5 kHz, reflecting the divergent local dynamics at different sections of the mesogens. The orientational order parameters of the phenyl rings computed from the 13C-1H dipolar couplings have been used to obtain the conformation of the mesogens in the nematic phase. It is concluded that the dimer and trimer exhibit C2 and C3 symmetry with the ring IV connected by spacers tilted away from the symmetry axis by 35.9 and 90° for the two cases, respectively. This leads to the interesting tripod-like molecular shape for the trimer in the nematic phase rather than the planar representation of the λ shape.

Poly(butylene succinate) and graphene nanoplatelet–based sustainable functional nanocomposite materials: structure-properties relationship

Sustainable functional polymer nanocomposites from renewable resources are extremely promising materials that can provide the next-generation of lightweight, multifunctional materials for several applications including energy storage, automotive, construction, defense, aerospace, consumer products, biomedical and functional coatings to name few. There is limited information on the use of sustainable polymers and graphene nanoplatelets (GNs), as well as the combinations of these two can provide reduced water permeability or enhanced electrical conductivity and improved thermal properties, and so on. Building upon this hypothesis, biobased poly(butylene succinate)/few-layer GN nanocomposites were prepared via a solventless melt-blending technique. Different characterization techniques such as differential scanning calorimetery, thermogravimetric analysis, dynamic mechanical analysis, dielectric spectroscopy, X-ray diffraction (XRD) and hot stage optical microscopy were used to study the thermal and structural characteristics. The melt blending was characterized by torque and temperature curves which showed that torque was reduced by up to 15 Nm, and melt temperature was improved by up to 5 °C. The improved crystallization of the composites in low concentrations of GN was observed. Graphene has been found to increase the crystallization temperature up to 10 °C and yielded pronounced spherulite structure, whereas peak shift was observed in XRD. High filler loading from 0.5 to 6.0 wt% was used to obtain more insights for few-layer graphene applications for thermoplastic polymer processing applications.

Thermal decomposition of Yttrium 2-methylbutyrate in argon

The thermal decomposition of yttrium 2-methylbutyrate (Y(C4H9CO2)3) under argon gas flow has been investigated by means of simultaneous thermogravimetry and differential thermal analysis, FTIR-spectroscopy (solid residue and evolved gas analysis), mass spectrometry, hot-stage optical microscopy and X-ray diffraction with a standard laboratory Cu-tube source as well as with a high-energy synchrotron radiation source. At least one structural transition occurs in the solid state between 100 °C and 160 °C. The decomposition of the Y 2-methylbutyrate salt takes place above 400 °C. A first stage results in the formation of Y2O2CO3 between 400 °C and 490 °C. This decomposition step is accompanied by the release of CO2, a symmetrical ketone (3,5-dimethyl-4-heptanone), as well as probably a terminal alkyne, which could not be unambiguously identified. At higher temperature, Y2O2CO3 is slowly converted to Y2O3 with release of CO2, while some carbonaceous residue is eliminated via combustion. The TG trace reaches the final plateau at about 1200 °C.

Bioinspired Polydopamine Coating as an Adhesion Enhancer Between Paraffin Microcapsules and an Epoxy Matrix.

Microencapsulated phase change materials (PCMs) are attracting increasing attention as functional fillers in polymer matrices, to produce smart thermoregulating composites for applications in thermal energy storage (TES) and thermal management. In a polymer composite, the filler–matrix interfacial adhesion plays a fundamental role in the thermomechanical properties. Hence, this work aims to modify the surface of commercial PCM microcapsules through the formation of a layer of polydopamine (PDA), a bioinspired polymer that is emerging as a powerful tool to functionalize chemically inert surfaces due to its versatility and great adhesive potential in many different materials. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) evidenced that after PDA coating, the surface roughness increased from 9 to 86 nm, which is beneficial, as it allows a further increase in the interfacial interaction by mechanical interlocking. Spectroscopic techniques allowed investigating the surface chemistry and identifying reactive functional groups of the PDA layer and highlighted that, unlike the uncoated microcapsules, the PDA layer is able to react with oxirane groups, thereby forming a covalent bond with the epoxy matrix. Hot-stage optical microscopy and differential scanning calorimetry (DSC) highlighted that the PDA modification does not hinder the melting/crystallization process of the paraffinic core. Finally, SEM micrographs of the cryofracture surface of epoxy composites containing neat or PDA-modified microcapsules clearly evidenced improved adhesion between the capsule shell and the epoxy matrix. These results showed that PDA is a suitable coating material with considerable potential for increasing the interfacial adhesion between an epoxy matrix and polymer microcapsules with low surface reactivity. This is remarkably important not only for this specific application but also for other classes of composite materials. Future studies will investigate how the deposition parameters affect the morphology, roughness, and thickness of the PDA layer and how the layer properties influence the capsule–matrix adhesion.

Characterization of low temperature crystal growth parameters of the growth-dominated phase change materials GeSb6Te

Phase change memory materials are semiconducting alloys used in optical- and resistivity-based memory devices that have large differences in optoelectronic properties between the amorphous and crystalline states. Alloys for memory applications must have a low crystallization rate at service temperatures so the written memory remains stable for long times. GeSb6Te may be attractive for use because of its rapid crystallization at high temperatures, but its low temperature crystallization behavior has not been fully assessed. Here, the crystallization parameters of amorphous films of GeSb6Te are characterized using in-situ hot stage optical microscopy under isothermal conditions for temperatures ranging from 185 °C to 195 °C. Individual grain sizes were tracked as well as the percent of material crystallized, from which the direct measurement of the crystal growth rate and Johnson-Mehl-Avrami-Kolmogorov parameters were calculated. GeSb6Te was found to have comparable growth and crystallization rates in the low temperature region as other growth-dominated phase change materials.

A promising "metastable" liquid crystal stationary phase for gas chromatography

The liquid crystal state is an ordered physical state between a solid and a liquid. Previous research, in gas chromatography, proved that it provides a geometric selectivity, which allows the separation of geometric position isomers and cis-trans isomers that are difficult to separate on conventional gas chromatography stationary phases (polydimethyl siloxane derived and polyethylene glycol stationary phases). However, their use was generally very limited by the rather high temperature at which they must be operated, normally above the solid-liquid crystal transition temperature. In the present study we are interested in a new synthesized material, 1,4- bis (4-bromohexyloxy benzoate) phenyl (BHOBP). The first characterizations of BHOBP were carried out by thermogravimetric analysis, hot-stage optical microscopy and differential scanning calorimetry to control the thermal stability of the BHOBP as well as the nematic texture of the mesophase highlighted in a well-defined temperature range (120 °C-200 °C). When heated, the solid compound led to a stable liquid crystal state. Its cooling has revealed "a new metastable physical state, which is the supercooled liquid crystal phase". After these first characterizations, the new material was used as a stationary phase for gas chromatography. The BHOBP was deposited in a capillary column by the dynamic method. The inverse gas chromatography study of the column revealed a solid-stable nematic phase transition temperature, in agreement with the first characterization methods. The stable liquid crystal phase showed good resolutions in the analysis of some geometric isomers of low volatility as PAHs. The presence of the supercooled liquid crystal state in the chromatographic column has also been confirmed. This new metastable state is particularly interesting because it enlarged the scope of this material by improving the resolution of several mixtures. Thus, the separation of highly volatile mixtures of geometric isomers (e.g. cis and trans-decalin) was achieved only through this metastable mesophase confirming its unique selectivity. The metastable liquid crystal, used at 80 °C, has also exhibited an original behavior by its stability after several weeks of use at the same temperature, maintaining constant retention factors and selectivity.

Cytotoxic Anti-Cancer Activity of Certain Thermotropic Liquid Crystalline Poly (Ester-Amides) Containing 2, 6-Bis (Benzylidene)Cyclohexanone Moiety in the Main Chain

Five thermotropic liquid crystalline poly(ester-amides) were synthesized by polycondensation method. The poly(ester-amides) were synthesized from varying dicarboxylic acids with a common diamine namely 4,4'-diaminobenzene and a common diol namely 2,6-bis(4-hydroxybenzylidene))cyclohexanone. For qualitative characterization, viscosity measurements and solubility data were used for these synthesized poly(ester-amides). The spectroscopic techniques such as FT-IR, 1H NMR, 13C NMR were performed to investigate the microstructural features of these synthesized poly(ester-amides). The thermal phase transition behavior of these poly(ester-amides) were studied by Differential Scanning Calorimetry (DSC) and Hot-stage Optical Polarized Microscopy (HOPM). The degree of crystallinity was assessed by X-ray diffraction (XRD) patterns. Scanning Electron Microscopic (SEM) technique was used to illustrate the morphology of these poly(ester-amides). The copolymer synthesized was subjected into in vitro anti-cancer activity studies against human breast cancer (MCF-7) cell line.
 Keywords: Bisbenzylidenecyclohexanone; poly(ester-amides); polycondensation; thermotropic liquid crystalline properties; cytotoxicity, anticancer.

Synthesis and Characterization of Certain Photoactive Liquid Crystalline Poly(ester amides) from 2,5-Pyridine Dicarboxylic Acid

A new series of four photo-crosslinkable thermotropic liquid crystalline poly(ester amides) were synthesized by direct polycondensation of 2,5-pyridine dicarboxylic acid with two different varying diols and diamines. Two diamines employed in the synthesis were 4,4′-diaminodiphenyl methane and 1,4-diaminobenzene. The arylidene diols 2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone and 2,6-bis(4-hydroxy-3-methoxybenzylidene)cyclohexanone were also used. The synthesized poly(ester amides) were characterized by qualitative solubility test, FT-IR, 1H and 13C NMR spectra. The monomeric moieties were found to be well incorporated in the polymer back bone. The molecular weight of the polymer was assessed by gel permeation chromatography (GPC). The thermal phase transition behavior and liquid crystallinity of the poly(ester amides) were investigated by differential thermogravimetry (DTG) and hot stage optical polarized microscopy (HOPM), respectively. Interestingly, these poly(ester amides) in dimethylacetamide were found to possess photo-crosslinking characteristics when irradiated by UV light. These polymeric materials may find utility value in optical information storage devices.

Liquid Crystalline Properties of 4,4and#39;-methylenebis(N-(4-Alkanoxybenzylidene)aniline): Synthesis, Characterization, and Theoretical study

The paper presents six homologues series of Schiff bases ether compounds distinguished by the length of terminal alkoxy groups which substituted on a side benzene nucleus. The above structures were demonstrated through the use of spectroscopic techniques, like FT- IR and 1H-NMR. Polarized hot stage optical microscopy was used to study both mesomorphic properties and phase transitions. The results showed that out of the six compounds only three (B2, B3 and B4) were pure (marble) nematic mesophase, while no liquid crystal properties for (B5, B6 and B7) compounds. The theoretical study for the electronic structures was intended to study the effects of alkyl chain length on the electronic structure by using Gaussian program, DFT and 6-31G as basis set. The theoretical results indicate that there is no effect to the terminal substituted alkoxy groups on the HOMO energies but there is an effect on LUMO energies through decreasing energy for the prepared compounds.