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1.
The measured cold neutron scattering spectra obtained in the SA phase of 4-cyano-4-alkylbiphenyl sample are investigated with emphasis: a) on the molecular uniaxial, within two potential barriers angular confined, stochastic reorientational motion, b) on the long molecular axis orientational fluctuations between two potential barriers as well as uniaxial simple rotational diffusion, and c) on the correlations of orientation between adjacent molecules due to Faber, with no localized motion implied. It is shown that, for low Q values, where Faber approach could be utilized, the spectra are well represented by his continuum theory of molecular disorder, although the first model above, in a modified form, can not be completely ruled out. 相似文献
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E. M. Barrall Ii J. W. Goodby G. W. Gray 《Molecular Crystals and Liquid Crystals》2013,570(10):319-326
Re-examination of the bis-(4′-n-alkoxy-benzylidene)-1,4–phenylenediamines, particularly the heptyloxy homologue, by optical microscopy and differential scanning calorimetry has confirmed the existence of two hitherto unclassified smectic phases, which are now assigned the code letters J and K (SJ andSk 相似文献
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P. Lakshmi Praveen 《Molecular Crystals and Liquid Crystals》2018,667(1):44-53
The intermolecular interaction energies between a pair of 7-Hexyloxy-3-[4’-(3-methylbutyloxy) phenyl]-4H-1-benzopyran-4-one (HMBPB) molecules have been estimated with respect to translational and orientational motions. The complete neglect differential overlap (CNDO/S) method has been employed to calculate the net atomic charge and atomic dipole moment components at each atomic center. The modified Rayleigh-Schrodinger perturbation theory along with multicentered-multipole expansion method has been employed to evaluate the long-range intermolecular interactions, while a ‘6-exp’ potential function has been assumed for short-range interactions. The total interaction energy values obtained through these computations have been used to calculate the probability of each configuration at room temperature (300K), and isotropic-smectic transition temperature (412.6K). Molecular arrangements inside a bulk of materials and smectic behavior of the compound in terms of their relative order have been discussed. Translational and rotational rigidity of the molecule has been analyzed to understand the smectic behaviour. The UV absorption profile has been estimated using CNDO/S, and INDO/S methods. 相似文献
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A homologous series of 4 - alkoxyphenyl-4′-[4″-cyano-benzyloxy] benzoates have been synthesized. Within this series three smectic A phases : SA 1, SA d and SA 2 were identified by mean of small angle X-Ray scattering. Furthermore three derivatives exhibit the novel smectic phase made of ribbons S~C. 相似文献
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K.N. Singh B. Gogoi R. Dubey N.M. Singh H.B. Sharma 《Molecular Crystals and Liquid Crystals》2016,626(1):130-140
The present article reports on the alignment or orientation of a particular compound N(4-n-heptyloxy benzylidene)4´-n-butylaniline through dielectric study. The effect of using two different alignment layers (for homogenous alignment) and doping silver nanoparticles (0.25% by weight) on the behavior in dielectric property with varying temperature and biasing electric field was studied in terms of liquid crystal alignment or orientation using the mechanism proposed by earlier workers. The study includes the anomalous dielectric behavior in SmG phase by presenting a technique for the analysis of the absorption process, which exists only in SmG phase at fixed frequency while varying temperature, is also presented. 相似文献
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以焦宝石、活性炭和铝粉为原料,添加Na2CO3制备Al4SiC4/Al4O4C复合耐火材料.采用化学分析、XRD和SEM等测试技术,研究了Na+对材料物相组成和显微结构的影响.结果表明:添加Na2CO3加速了Al2O3和活性炭的反应,促进了Al4O4C的生成.未添加Na2CO3时生成的Al4SiC4晶粒表面光滑,添加Na2CO3后Al4SiC4晶粒粗糙、凹凸,缺陷明显增加.此外,未添加Na2CO3的试样中生成的Al4O4C呈短纤维状,添加Na2CO3后全部转变为细小颗粒. 相似文献
7.
We measured the order parameter near the interface between a liquid crystal and the solid substrate treated by several methods. The interfacial order parameter is different according to the surface treatment, and is larger than the bulk order parameter. Moreover, in the temperature above the clearing point, the interfacial order still has a finite value. 相似文献
8.
Giovanni Poeti Enzo Fanelli Mario Braghetti 《Molecular Crystals and Liquid Crystals》2013,570(1-2):145-160
Abstract The preparation and melting behaviour of the homologous series of 4-acetyl-4′-n-alkanoylox-azobenzenes, CH3-CO-C6H4-N?N-C6H4-O-CO-(CH2) n -CH3, (with n ranging from zero to 16) is reported. The melting behaviour has been investigated by means of thermal microscopy and differential scanning calorimetry. The experimental results indicate for almost all the compounds the presence of solid state polymorphism and a type A smectic; for one compound a type B smectic phase is also present. Some homologs present, in addition, a nematic phase. 相似文献
9.
M. A. Gunina E. Kh. Lermontova S. M. Pestov L. G. Kuz’mina 《Crystallography Reports》2012,57(5):733-736
The molecular and crystal structure of 4??-hexyloxyphenyl 4-pentylbenzoate, C6H13O-C6H4-COO-C6H4-C5H11, which is a liquid-crystal compound, was determined by X-ray diffraction. This compound forms a nematic phase upon melting. The crystal contains three crystallographically independent molecules. In one of them, the alkyl chain is disordered. This is indicative of the looseness of the crystal packing in the aliphatic region. The crystal structure is stabilized by the following two types of weak directional interactions: hydrogen bonds with the participation of the terminal O atom of the ester group and the C-H group of one of the benzene rings and C-H????-system interactions. Only one of the three independent molecules is involved in the latter type of interactions. Hence, the structurization of the mesophase is most likely determined by hydrogen bonding. 相似文献
10.
The crystal structures of four liquid-crystal (LC) compounds belonging to 4-acylphenyl 4′-alkyloxybenzoates with the general formula C n H2n + 1-C(O)-C6H4-O-C(O)-C6H4-O-C m H2m + 1 numbered as 1/6, 1/7,2/7, and 3/7 (the numbers in the code indicate the ratios of the numbers of alkyl-chain units, n/m) are determined. Compounds 1/6 and 1/7 form smectic and nematic phases, but they are monotropic mesogens, whereas compounds 2/7 and 3/7 form only an enantiotropic smectic phase. Compound 3/7 crystallizes in two crystal modifications—triclinic with Z′ = 2 (3/7 tr ) and monoclinic with Z′ = 4 (sp. gr. P2, 3/7 mon ). All crystals consist of alternating aromatic and aliphatic regions and are characterized by the presence of weak directional interactions, such as C-H...O hydrogen bonds and π-stacking interactions. This provides the necessary conditions for the formation of a mesophase, and the existence of two types of structure-forming units is in line with the formation of a smectic phase. An explanation is proposed for the monotropic properties of 1/6 and 1/7. 相似文献
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Komornikov V. A. Timakov I. S. Zajnullin O. B. Grebenev V. V. Makarova I. P. Selezneva E. V. Ksenofontov D. A. 《Crystallography Reports》2019,64(6):984-990
Crystallography Reports - The phase equilibria in the CsHSO4–CsH2PO4–NH4H2PO4–H2O four-component aqueous salt system have been studied. The crystallization ranges and solubilities... 相似文献
14.
L. G. Kuz'mina I. I. Konstantinov A. V. Churakov 《Molecular Crystals and Liquid Crystals》2018,664(1):95-100
4-methoxyphenyl-4′-n-nonyloxybenzoate have been investigated by single crystal X-ray structural analysis. Crystal packing of the compounds does not represent a precursor of the mesophse although the typical for liquid crystal compounds separation of crystal packing on aromatic and aliphatic areas is observed here. Possible reason for monotropic properties are discussed. 相似文献
15.
M. Akkurt S. Ö. Yıldırım A. Kerbal B. Bennani M. Daoudi Z. H. Chohan V. McKee T. Ben Hadda 《Journal of chemical crystallography》2010,40(3):231-234
The title compound, 3′-(4-methoxyphenyl)-2-phenyl-4′-(4-ethoxyphenyl)-1,2-dihydro-4H,4′H-spiro[isoquinoline-3,5′-isoxazol]-4-one was synthesized from the reaction of dipolarophile with p-methoxybenzadoxime in the presence of sodium hypochlorite in chloroform solution. The structure of the synthesized compound was determined by IR, 1H NMR, mass spectroscopic data, 13C NMR spectroscopy, elemental analysis and X-ray crystallography. The structure was solved in monoclinic, space group C2/c with a = 21.941 (4), b = 17.233 (3), c = 15.404 (3) Å, β = 122.193 (2), V = 4928.9 (16) Å3, Z = 8 and with Rint = 0.154. The geometry of the title compound showed that the piperidine ring adopts a half-chair conformation. In the crystal structure, molecules are linked by C–H···O and C–H···N contacts. Weak C–H···π interactions plays an important role in stabilizing the supramolecular structure. 相似文献
16.
Rajnikant V. K. Gupta R. Gupta A. Kumar R. K. Bamezai N. K. Sharma B. Varghese 《Crystallography Reports》2000,45(1):98-102
The structure of a liquid crystal of 4-cyano-4′-n-octyloxybiphenyl (C21H25NO) is determined by X-ray diffraction analysis. The compound crystallizes in the triclinic crystal system with unit cell parameters a = 7.322(1) Å, b = 12.693(3) Å, c = 20.393(2) Å, α = 92.45(1)°, β = 99.96(1)°, γ = 99.35(2)°, and space group $P\bar 1$ . The structure is solved by the direct method and refined to R = 0.057. Two independent molecules are located in the asymmetric unit. No short intermolecular contacts are observed in the crystal packing. 相似文献
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The bend elastic constants (k 33) and order parameters (S) derived from optical measurements in the nematic phase of pentlyl, hexyl, heptyl and octyl cyanobiphenyls (5CB, 6CB, 7CB and 8CB respectively) are reported. The odd-even effect is clearly seen in the K 33 values of all four compounds and in the S values of the first three. 5CB, 6CB and 7CB show only the nematic mesophase but their elastic constants indicate the existence of smectic-like short range order. For example, even the lowest homologue, 5CB, does not obey the law k 33 ∞ S 2 given by the mean field throry. 7CB, has about the same order parameter as 5CB but a much higher elastic constant. 8CB, which shows a smectic A phase as well, exhibits a lower k 33 than 7CB near the nematic-isotropic transition point but a pronounced pretransitional increase near the A-N transition. 相似文献
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