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Discotic Nematic State in a System of Rod-Like Molecules 棒状分子系统中的盘状向列态
IF 0.5 Q4 CRYSTALLOGRAPHY Pub Date : 2023-03-30 DOI: 10.18083/lcappl.2023.1.78
A. Emelyanenko, S. Shvetsov
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引用次数: 0
Thermodynamic and Selective Properties of Diatomite Adsorbent Modified by the Mixture of 4-(2-Hydroxyethoxy)-4'-Formylazobenzene and Iron μ-Oxodimer of 2,8,12,18-Tetramethyl-3,7,13,17-Tetra-n-Amylporphin under Conditions of Inverted Gas Chromatography 反相气相色谱条件下4-(2-羟基乙氧基)-4'-甲酰基偶氮苯与2,8,12,18-四甲基-3,7,13,17-四正-氨酰卟啉铁μ-氧二聚物改性硅藻土吸附剂的热力学和选择性
IF 0.5 Q4 CRYSTALLOGRAPHY Pub Date : 2023-03-30 DOI: 10.18083/lcappl.2023.1.16
G. V. Kuvshinov, L. O. Monakhov, A. S. Semeikin, A. A. Batrakova, O. Koifman
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引用次数: 0
Filtration Properties of Polarization Holographic Gratings Recorded in Liquid Crystal Composites 液晶复合材料中偏振全息光栅的过滤特性研究
IF 0.5 Q4 CRYSTALLOGRAPHY Pub Date : 2023-03-30 DOI: 10.18083/lcappl.2023.1.50
G. Zharkova, S. Streltsov
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引用次数: 0
Non-Newtonian Flow of Structured Systems. XXXV. Polymer with Cylindrical Brush Architecture 结构化系统的非牛顿流。第45。聚合物与圆柱刷结构
IF 0.5 Q4 CRYSTALLOGRAPHY Pub Date : 2023-03-30 DOI: 10.18083/lcappl.2023.1.58
M. P. Vekovishchev, E. A. Kirsanov
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引用次数: 0
Orientational Behavior of Nematic Liquid Crystals in Two-Phase Microfluidic Systems 两相微流控系统中向列型液晶的取向行为
IF 0.5 Q4 CRYSTALLOGRAPHY Pub Date : 2023-03-30 DOI: 10.18083/lcappl.2023.1.28
A. Bezrukov, O. A. Potapov, V. V. Osipova, Y. Galyametdinov
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引用次数: 1
Functioning Features of Liquid Crystalline Cells Doped with CoFe2O4 Nanoparticles 掺杂CoFe2O4纳米颗粒液晶电池的功能特性
IF 0.5 Q4 CRYSTALLOGRAPHY Pub Date : 2022-12-22 DOI: 10.18083/lcappl.2022.4.83
N. Kamanina, A. Toikka, Yaroslav V. Barnash, D. Redka, S. V. Lihkomanova, Yu. A. Zybtsova, P. V. Kyzhakov, Z. Jovanović, S. Jovanovic
The first experimental results on the functioning of liquid crystal cells doped with CoFe2O4 nanoparticles are presented. Transmission spectra in the visible and near-infrared range, dynamic parameters of the Fredericks effect, refractive characteristics, as well as wetting angles of the mesophase sensitized surfaces have been obtained. The measured surfaces were the K8 Crown glass, the conductive ITO and the ITO treated with a surface electromagnetic wave. The experiment was performed in order to establish the prospect of using such reliefs as a novel liquid crystal composite orientator sensitized with CoFe2O4 nanoparticles. A color change of the liquid crystal matrix, its refractive coefficients alterations, and the variation of inclination angle of the sensitized liquid crystal droplets on the considered reliefs were established. The time reaction parameters and the medium relaxation parameters were measured. It was proposed that the liquid crystal composition is a kind of an immersion medium that preserves properties of the introduced nanoparticles, which expands their application scope in optoelectronics and biomedicine.
本文首次报道了掺杂CoFe2O4纳米颗粒液晶电池功能的实验结果。得到了可见光和近红外透射光谱、Fredericks效应的动态参数、中间相敏化表面的折射率特性以及润湿角。被测表面为K8冠玻璃、导电ITO和表面电磁波处理的ITO。实验是为了建立利用这种缓释剂作为一种新型的液晶复合定向剂与CoFe2O4纳米颗粒敏化的前景。建立了液晶矩阵的颜色变化、折射率变化以及敏化液晶液滴在考虑的浮雕上的倾角变化。测定了时间、反应参数和介质弛豫参数。提出液晶组合物是一种保留纳米颗粒特性的浸没介质,扩大了其在光电子和生物医学领域的应用范围。
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引用次数: 0
Luminescence Efficiency of Mesogenic Europium(III) Complexes and their Composites with Polymers According to Quantum-Chemical Simulation 量子化学模拟中生铕(III)配合物及其聚合物复合材料的发光效率
IF 0.5 Q4 CRYSTALLOGRAPHY Pub Date : 2022-12-22 DOI: 10.18083/lcappl.2022.4.6
Kseniya A. Romanova, Y. Galyametdinov
The results of quantum-chemical simulation of the molecular structure and excited states of some mesogenic europium(III) (Eu(III)) complexes and liquid-crystalline (LC) (co)polymers are provided. These objects represent the components of currently relevant composites with a hybrid structure, unique optical and magnetic properties for optoelectronic devices. The relationships between the geometric parameters, LC properties, and luminescence efficiency of the mesogenic Eu(III) complexes with &beta-diketones and Lewis bases have been studied. The calculated values of the lowest singlet and triplet excited states were used to determine the channels of inter- and intramolecular energy transfer between the excited levels of polymers and Eu(III) complexes. The data of quantum-chemical simulation allowed to select components for the subsequent synthesis and creation of effective optoelectronic materials.
提供了一些介晶铕(III)(Eu(III))配合物和液晶(LC)(共)聚合物的分子结构和激发态的量子化学模拟结果。这些物体代表了目前相关复合材料的组成部分,该复合材料具有混合结构、独特的光电器件光学和磁性。研究了Eu(III)与β-二酮和Lewis碱的介晶配合物的几何参数、LC性质和发光效率之间的关系。使用最低单线态和三线态激发态的计算值来确定聚合物和Eu(III)配合物激发能级之间的分子间和分子内能量转移通道。量子化学模拟的数据允许为随后的合成和创造有效的光电子材料选择成分。
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引用次数: 0
Interaction of Components of Epoxy Composite Containing Carbon Nanotubes and Graphene Oxide Mixture 含碳纳米管的环氧复合材料与氧化石墨烯混合物组分的相互作用
IF 0.5 Q4 CRYSTALLOGRAPHY Pub Date : 2022-12-22 DOI: 10.18083/lcappl.2022.4.102
T. Dyachkova, A. Rukhov, Y. Khan, D. Protasov, D. Stolbov, E. Burakova, G. A. Titov, A. Tkachev
Mixtures of carbon nanotubes (CNTs) and graphene oxide (GO) in composite materials often exhibit synergistic effects with respect to mechanical and electrophysical properties. In this paper, the mechanisms of interaction between CNTs, GO and epoxydian resin macromolecules were discussed based on the results of molecular dynamics simulations. Calculations were performed in the MM3 force field at exposure times up to 100 ps. The influence of the CNT’s graphene layers shape and the presence of oxygen-containing functional groups on the self-assembly process during the epoxy composite formation has been demonstrated. It is shown that graphene oxide sheets are arranged around cylindrical nanotubes and envelop them, while when using tapered nanotubes, the formation of alternating layers of CNTs and GO should be expected. The presence of oxygen-containing groups on the surface of cylindrical nanotubes promotes the penetration of epoxydian resin macromolecules into the space between CNTs and GO. The simulation results of the "cylindrical CNTs - GO" and the "conical CNTs - GO" hybrid particles were confirmed by scanning electron microscopy data.
复合材料中碳纳米管(CNT)和氧化石墨烯(GO)的混合物在机械和电物理性能方面通常表现出协同效应。本文在分子动力学模拟的基础上,讨论了碳纳米管、GO和环氧树脂大分子之间的相互作用机制。在暴露时间高达100ps的MM3力场中进行计算。已经证明了CNT的石墨烯层形状和含氧官能团的存在对环氧复合材料形成过程中的自组装过程的影响。研究表明,氧化石墨烯片排列在圆柱形纳米管周围并包裹它们,而当使用锥形纳米管时,应该预计会形成CNT和GO的交替层。圆柱形纳米管表面上含氧基团的存在促进了环氧树脂大分子渗透到CNT和GO之间的空间中。扫描电子显微镜数据证实了“圆柱形CNTs-GO”和“圆锥形CNTs-GO”杂化颗粒的模拟结果。
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引用次数: 1
Fluorinated Biphenylpyrimidine as a Possible Matrix for Ferroelectric Liquid Crystal Mixtures 含氟联苯嘧啶作为铁电液晶混合物的可能基质
IF 0.5 Q4 CRYSTALLOGRAPHY Pub Date : 2022-12-22 DOI: 10.18083/lcappl.2022.4.92
katerina M. Budynina, Sofiya I. Torgova, Artemiy V. Kuznetsov, E. Pozhidaev
The results of the synthesis and study of a new fluorinated achiral smectic C liquid crystal, namely, 2-(3-fluoro-4'-pentylbiphenyl-4-yl)-5-hexylpyrimidine, are presented. The possibility to use this compound as a matrix for ferroelectric liquid crystal (FLC) mixtures is evaluated. Two mixtures have been prepared: one (FLC-691-F) is based on new fluorinated compound and another (FLC-691) on its non-fluorinated analogue. The diester of optically active 2-octanol and terphenyldicarboxylic acid was used as a chiral dopant for both mixtures. Investigation of these FLC mixtures parameters: phase transition temperatures, helix pitch, spontaneous polarization and tilt angle show significant influence of fluorine atom. When comparing the phase sequence of FLC-691 and FLC-691-F mixtures, one can note that in the fluorine containing mixture an additional smectic A phase arises. At the same temperatures, the helix pitch of FLC-691-F is 2 – 2.5 times less than the helix pitch of FLC-691. The tilt angle of FLC-691-F is much smaller than that of FLC-691 but its value approaches the optimal value of 22.5 degrees, which ensures maximum light transmittance of electro-optical cells. At the same time the presence of fluorine atom in the matrix is a reason for the decrease of the mixture spontaneous polarization and a significant decrease (almost 4 times) in the driving voltage of electro-optical light shutters. As a result, it was shown that the fluorinated matrix provides new possibilities for controlling the mixture parameters.
本文报道了一种新的含氟非手性近晶C液晶2-(3-氟-4'-戊基联苯-4-基)-5-己基嘧啶的合成和研究结果。评估了使用该化合物作为铁电液晶(FLC)混合物基质的可能性。已经制备了两种混合物:一种(FLC-691-F)基于新的氟化化合物,另一种(FLEC-691)基于其非氟化类似物。光学活性2-辛醇和三苯基二羧酸的二酯被用作两种混合物的手性掺杂剂。对FLC混合物的相变温度、螺旋间距、自发极化和倾斜角等参数的研究表明,氟原子对其影响很大。当比较FLC-691和FLC-691-F混合物的相序时,可以注意到在含氟混合物中出现了额外的近晶A相。在相同的温度下,FLC-691-F的螺距比FLC-691的螺距小2–2.5倍。FLC-691-F的倾角远小于FLC-691的倾角,但其值接近22.5度的最佳值,这确保了电光电池的最大透光率。同时,基体中氟原子的存在是混合物自发极化降低和电光快门驱动电压显著降低(几乎4倍)的原因。结果表明,氟化基质为控制混合物参数提供了新的可能性。
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引用次数: 0
Method of Molecular Parameters for Columnar Mesomorphism Prediction of Tristriazolotriazines 三三氮唑三嗪类化合物柱状介形预测的分子参数方法
IF 0.5 Q4 CRYSTALLOGRAPHY Pub Date : 2022-12-22 DOI: 10.18083/lcappl.2022.4.16
O. Akopova, N. Zharnikova, N. V. Bumbina, A. Smirnova, А. S. Kashitsyn, N. Usol'tseva
The possibility of using the method of molecular parameters, developed earlier for the prediction of columnar mesomorphism in discotic compounds, was analyzed as applied to star-shaped derivatives of tristriazolotriazine (TTT). Two series of TTT derivatives of different isomeric structures with tangential t-TTT (79 structures) and radial r-TTT (22 structures) positions of phenyl rings were used for analysis. The mesomorphism of these compounds was known from the literature data. Modeling and optimization of 101 structures were carried out and data on the prediction of columnar mesomorphism were obtained using the “CMP ChemCard” software product. The high reliability of the prediction was proved only for t-isomer derivatives of TTT (coincidence with the experiment – 80.4%). For r-isomers, the reliability of the prediction was 52.3%. Based on the prediction results, it is assumed that 29 mesogenic structures of t-TTT series, for which the supramolecular structure of the mesophase has not been previously identified, form mesophase of columnar type.
分析了用分子参数法预测盘状化合物柱状介形的可能性,并将其应用于三三唑三嗪(TTT)的星形衍生物。采用苯环的切向t-TTT(79个结构)和径向r-TTT(22个结构)两个不同异构体结构的TTT衍生物进行分析。这些化合物的中胚性已从文献资料中得知。利用“CMP ChemCard”软件产品对101个结构进行了建模和优化,并获得了柱状介态预测数据。预测的高可靠性仅在TTT的t异构体衍生物上得到证明(与实验符合率为80.4%)。对于r-异构体,预测信度为52.3%。根据预测结果,假设t-TTT系列中29个中间相超分子结构尚未确定的中间相形成柱状中间相。
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Liquid Crystals and their Application
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