Terahertz dichroism of MBBA liquid crystal on rubbed substrate

Terahertz (THz) dichroism of a nematic liquid N-(p-methoxybenzylidene)-p-butylaniline (MBBA) was measured using a GaP Raman THz spectrometer. MBBA on a rubbed plastic substrate generates a band at around 4.0 THz: its liquid crystal phase shows strong dichroism, which well corresponds to that of the IR absorption caused by π(CH) of MBBA molecule reported in the literature. Based on inferences drawn from the present THz and the published IR dichroic results, the 4.0 THz band probably stems from lateral intermolecular or intramolecular interactions of MBBA molecules aligned to the rubbing direction. The results clearly demonstrate that THz spectroscopy is powerful for discussing of phase transition and dichroism of liquid crystals.     

Terahertz electrically controlled nematic liquid crystal lens

We report some preliminary results on the realization of terahertz (THz) nematic liquid crystal (LC) lens with electric tunable focal length. A LC cell with a single circular-hole electrode is driven by an AC voltage to yield the desired spatial distribution of the refractive index. The two-dimensional function of the phase delay introduced into THz wave depends on the AC voltage and the electrodes contacting the LC layer. This lens is operated at room temperature and its convergent optical characteristic is demonstrated at 118 μm. We realize the lens with a clear aperture of 1 mm. The lens matched with a bolometer array is capable of obtaining real-time THz images of a sample without any mechanical scanning.     

Electric birefringence of solutions of nematic compounds

The static field Kerr electro-optic effect has been studied in solutions of the nematic liquid crystals MBBA and PCB in carbon tetrachloride. These compounds are negative and positive nematics respectively. At low field strengths, all solutions exhibited Kerr law behaviour and Kerr constants were evaluated. The dependence of these constants on concentration differed markedly between these two nematic materials. With MBBA, the birefringence and hence the Kerr constant underwent a reversal of sign from positive to negative with increasing solution concentration. With PCB, the Kerr constant was always positive. Whereas MBBA solutions always showed Kerr law behaviour for fields up to 45 kV cm^-1, the PCB solutions showed deviations from this at the higher field strengths. Combinations of higher concentrations and field strengths resulted in irregular transients in the birefringence.     

太赫兹波段液晶分子极化率的理论研究

近年来,太赫兹(THz)波段电磁辐射的研究引起科学技术界广泛的关注.液晶(LC)材料具有宽带可调的特性且拥有成熟的工业技术基础,在基于液晶设计的太赫兹可调器件研究中显示了巨大的应用潜力.因此,为了快速发展实用的LC-THz调制器件,对液晶材料在太赫兹频率范围内的光电特性进行系统的了解是至关重要的.分子极化率是表征分子中电荷分布的重要物理量.采用密度泛函理论方法对液晶分子PCH5,5CB和5OCB在太赫兹波段的极化率性质进行计算研究,从电子结构的角度,利用极化率密度分析方法考察了分子不同区域对极化率数值的贡献,详细探讨了尾链、核心结构和极性取代基等不同基团对极化率及其各向异性的影响.     

太赫兹液晶材料与器件研究进展

液晶是一种性能优异的可调控光电功能材料,基于液晶的太赫兹器件有着广泛的应用前景,但高性能太赫兹功能器件的研发仍处于初级阶段.本文综述了太赫兹领域液晶材料与器件的研究现状,探讨了液晶技术与太赫兹技术相结合的发展趋势.     

Pretransition and critical phenomena in the nematic phase of MBBA

The pretransition and critical phenomena in the nematic phase of p-methoxy-benzylidene p-n-butyl-anilline (MBBA) were studies by means of precision volume measurements. The relationship between the volume change and the order parameter of MBBA to yield the critical index ß is discussed.     

结构相似单糖和二糖分子的太赫兹时域光谱研究

应用太赫兹时域光谱(THz-TDS)技术结合密度泛函理论(DFT)对两种结构相似的典型单糖和二糖物质(D-葡萄糖和乳糖一水化合物)在0.3~1.7 THz频段的太赫兹吸收光谱进行了实验与理论模拟研究。首先,利用THz-TDS技术分别测量了D-葡萄糖和乳糖一水化合物在0.3~1.7 THz频段的太赫兹特征吸收谱,获得了它们在此太赫兹频率范围内的指纹光谱数据,发现虽然乳糖的组成结构中含有葡萄糖,但THz-TDS技术对糖类分子的结构变化非常敏感,两种物质在所测太赫兹频段内分别表现出各自不同的太赫兹指纹吸收特性。然后,利用DFT方法分别对两种糖类物质单分子和多分子构型的低频集体振动模式进行了理论模拟计算,获得了D-葡萄糖晶胞构型和乳糖一水化合物单分子及晶胞构型的DFT模拟计算结果,并通过简正振动模式分解的PED分析方法,结合GaussView显示的分子振动形式,对两种糖类物质在太赫兹频段吸收峰的简正振动模式进行了指认,发现乳糖一水化合物的振动模式与羟基(-OH)、羟甲基(-CH₂OH)和糖苷键的振动模式密切相关,且D-葡萄糖在1.44 THz处及乳糖一水化合物在1.38 THz处出现的吸收峰主要是由分子间的相互作用(氢键和范德华力),尤其是相互作用较强的氢键引起。最后,利用约化密度梯度(RDG)分析,可视化地分析了D-葡萄糖和乳糖一水化合物分子间相互作用的位置、类型和强度,进一步证明了两种物质在太赫兹频段的特征吸收峰主要来源于分子间氢键网络支配的集体振动模式。研究结果表明,THz-TDS技术对糖类分子结构的细微变化有着敏锐的感知,虽然D-葡萄糖和乳糖一水化合物的分子结构相似,但太赫兹波对它们之间的结构差异十分敏感,两者在太赫兹波段的特征吸收谱表现出明显差异,这为THz-TDS技术结合DFT方法对糖类物质进行检测识别以及研究糖类分子间的相互作用提供了有价值的实验和理论参考。     

太赫兹波段PCH7液晶分子极化率密度泛函研究

本文采用密度泛函方法计算了液晶分子PCH7在太赫兹波段的动态极化率,采用B3LYP/6-311G(d)方法对PCH7分子进行几何结构优化,在优化构型基础上,采用M06-2x/6-311++G(2d,p)方法计算了体系分子在589nm和1.5THz时的含频极化率,通过极化率密度考察了尾链、核心结构和极性取代基等不同基团对极化率数值的贡献。     

太赫兹波段PCH7液晶分子极化率密度泛函研究

本文采用密度泛函方法计算了液晶分子PCH7在太赫兹波段的动态极化率,采用B3LYP/6-311G(d)方法对PCH7分子进行几何结构优化,在优化构型基础上,采用M06-2x/6-311++G(2d,p)方法计算了体系分子在589nm和1.5THz时的含频极化率,通过极化率密度考察了尾链、核心结构和极性取代基等不同基团对极化率数值的贡献.     

太赫兹波段PCH7液晶分子极化率密度泛函研究

本文采用密度泛函方法计算了液晶分子PCH7在太赫兹波段的动态极化率,采用B3LYP/6-311G(d)方法对PCH7分子进行几何结构优化,在优化构型基础上,采用M06-2x/6-311++G(2d,p)方法计算了体系分子在589nm和1.5THz时的含频极化率,通过极化率密度考察了尾链、核心结构和极性取代基等不同基团对极化率数值的贡献。     

Determination of the molecular orientation at the free surface of liquid crystals from brewster angle measurements

In this paper we describe a new method to determine the orientation of the director at the free surface of nematic liquid crystals. Such method is based on a measure of the Brewster angle. The accuracy of this technique is discussed and tested on a MBBA sample.     

Study of optical parameters of two fluorinated isothiocyanato nematic liquid crystals exhibiting high birefringence

Optical studies have been carried out on two fluorinated isothiocyanato nematic liquid crystal (LC) compounds 4′-butylcyclohexyl-3, 5-difluoro-4-isothiocyanatobiphenyl and 4′-pentylcyclohexyl-3, 5-difluoro-4-isothiocynatobiphenyl. Transition temperatures of the two samples were confirmed using a polarizing microscope. The two LC compounds were found to exhibit fairly high clearing temperatures. Measurements of refractive indices of the two compounds were done by using thin prism method with He-Ne laser beam of wavelength 630 nm. Birefringence of the two LC compounds was calculated from the measured refractive indices. Both the compounds are found to display fairly high values of birefringence. Validation of a modified four-parameter model, based on Vuks equation describing the temperature dependence of refractive indices of the two liquid crystals, is also presented in this paper. The model is validated by fitting the experimentally measured values of refractive indices, birefringence and average refractive indices of the two nematic LCs with the theoretical values. In this paper, the calculation of order parameters of the LCs is presented by using two methods: direct extrapolation method based solely on the birefringence data and by using modified Vuks method based on Haller’s extrapolation. As observed from the obtained results, this procedure of calculating order parameter gives very reasonable results.     

Temperature dependence of the effective anchoring energy for a nematic-ferroelectric interface

Specific features of the anisotropic interaction between a nematic mixture and a polar surface of a ferroelectric triglycine sulfate crystal have been studied over a wide temperature range including the substrate's Curie point T_c. The mixture was composed of two nematic liquid crystals, 60% of p-methoxybenzylidene-p-n-butylaniline (MBBA) and 40% of p-ethoxybenzylidene-p-n-butylaniline (EBBA), and doped with a small amount of a dichroic dye. The temperature dependence of the polarized components of optical density D_j of the dye absorption band for the nematic and isotropic phases of the MBBA+EBBA mixture has been obtained using polarization optic techniques. The temperature-induced structural changes in the nematic layer near T_c were found to be related to the changes in the orientational part of the tensor order parameter Q_ik. The experimental data have been interpreted using the model, in which the dispersive van der Waals forces of the substrate stabilize the planar orientation of the nematic in the bulk competing with the short-range anchoring forces in the vicinity of T_c. At the same time, the anisotropic part of the surface energy has two terms with the orthogonal easy axes. The nature of the surface electric field and its effect on the director alignment at the interface have been clarified. Taking into account the known relation between anchoring strength and the nematic order parameter, the effective anchoring energy w_eff for the studied system has been determined as a function of temperature.     

蒿甲醚的太赫兹时域光谱研究

蒿甲醚是目前治疗疟疾非常有效的药物。由于其独特的药效,在临床医学中的应用比较广泛。采用太赫兹时域光谱技术测量了蒿甲醚在太赫兹波段的吸收特性,得到它在0.2～3.0 THz频率范围的特征吸收谱。应用密度泛函理论和6-31G基组计算了蒿甲醚分子的结构及其在太赫兹波段的振动频率,并据此对实验光谱吸收峰进行了指认。理论计算表明,在1.26和2.73 THz处的吸收峰与实验上在1.24和2.73 THz处得到的吸收峰位置相对应,理论计算与实验数据吻合的较好。同时对蒿甲醚的远红外振动模式进行了识别,振动模式以分子基团的骨架振动和扭转为主要特征。对蒿甲醚太赫兹光谱特性的研究结果表明太赫兹技术是一种检测中药的有效方法,这为进一步研究蒿甲醚的药效提供了理论依据。     

Continuity of flow alignment parameters across the nematic-isotropic phase transition

We use existing data to show that the parameter which characterizes the reactive coupling of molecular orientation to shear strain in the nematic liquid crystal N-(p'-methoxybenzylidene)-p-n-butylaniline (MBBA) is continuous across the nematic-isotropic phase transition.     

Synthesis of new LC compounds with high optical anisotropy: pentaphenyl derivatives lateral substituted

A new pentaphenyl liquid crystalline (LC) compounds with 2,3-difluorobenzene moiety exhibiting wide nematic range have been prepared. The key stage is the condensation of the corresponding 3-dimethylaminopropanoyl-4-pentyl benzene hydrochloride with substituted methyl benzyl ketone in the presence of base leading to 3,6-disubstituted cyclohexenones. Methylation with methyl magnesium iodide followed by oxidative aromatization gives three-ring bromides, which are used in the Suzuki cross-coupling reaction. Pentaphenyl LC compounds possessing lateral methyl group have moderate melting points, improved solubility, and miscibility with another LC components. The new compounds could be useful in LC compositions with the high optical anisotropy.     

Gradient measurement technique to identify phase transitions in nano-dispersed liquid crystalline compounds

Characterization and phase transitions in pure and 0.5% BaTiO₃ nano-dispersed liquid crystalline (LC) N-(p-n-heptyloxybenzylidene)-p-n-nonyloxy aniline, 7O.O9, com-pounds are carried out using a polarizing microscope attached with hot stage and camera. We observed that when any of these images are distorted, different local structures suffer from various degradations in a gradient magnitude. So, we examined the pixel-wise gradient magnitude similarity between the reference and distorted images combined with a novel pooling strategy – the standard deviation of the GMS map – to determine the overall phase transition variations. In this regard, MATLAB software is used for gradient measurement technique to identify the phase transitions and transition temperature of the pure and nano-dispersed LC compounds. The image analysis of this method proposed is in good agreement with the standard methods like polarizing microscope (POM) and differential scanning calorimeter (DSC). 0.5% BaTiO₃ nano-dispersed 7O.O9 compound induces cholesteric phase quenching the nematic phase, which the pure compound exhibits.     

Pressure dependence of the viscosities of nematic liquid crystals

The pressure dependence of a complete set of nematic viscosities is computed in the framework of a theory of the order parameter and temperature dependence of the nematic viscosities early proposed by us. The resulting equations are compared to the experimental data on the pressure dependence of the apparent viscosity measured in a falling ball experimental on MBBA, and the agreement found is good.     

Orientation of liquid-crystal molecules on substrates exposed to argon-ion bombardment

The possibility for homogeneous orientation of liquid-crystal (LC) molecules was studied after argon-ion bombardment of substrates (Si, Ge) transparent in the infrared (IR) spectral region. The orientation of the LC molecules was monitored by IR spectroscopy. Nematic LC 4-methoxybenzylidene-4′-butylaniline (MBBA) was used to study the molecular orientation. Absorption spectra were analyzed near the band with maximum at 1630 cm⁻¹ corresponding to − CH=N-group vibrations along the long axis of the MBBA molecule. The type and degree of initial orientation of the LC molecules were determined from the correlation of the integrated absorptions of this band without and with an applied electric field (above the threshold voltage for the Fredericksz effect). It has been established that an increased ion fluence results in a planar orientation of the LC molecules and in a gradual transformation of the planar orientation of the molecules to a homeotropic one with preliminary argon-ion bombardment of substrates at energies of 250 eV and 1.25 keV, respectively. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 6, pp. 763–767, November–December, 2008.     

Electrohydrodynamic instability in a nematic liquid crystal: Effect of an additional stabilizing AC electroc field on the spatial period of “chevrons”

The spatial period of bend oscillations in nematic N-(p-methoxybenzylidene)-p-n- butylaniline (MBBA) at the threshold of electrohydrodynamic instability increases under the application of an additional high frequency stabilizing field, giving a measurement of the elastic constant K₃₃ = 7.3 ± 1.5 dyne.