Nonlinear molecular deformations and solitons in a nematic liquid crystal

We studied nonlinear molecular deformations in a nematic liquid crystal with homeotropically aligned molecules and hard boundaries. As the basic dynamical equation for the director axis of the liquid crystal resembles the Landau-Lifshitz equation representing spin dynamics in a one dimensional classical continuum isotropic Heisenberg ferromagnetic spin chain, we invoke here the space curve formalism and the stereographic projection technique used in the case of the Heisenberg spin chain. Under space curve mapping, the director dynamics with elastic deformation is found to be governed by a perturbed nonlinear Schrödinger equation. A multiple-scale perturbation analysis brings out perturbed solitons to represent molecular deformations in the nematic liquid crystal. However, when a constant electric field is applied, the director dynamics is expressed under stereographic projection and the molecular deformations are found to be governed by periodic and localized static planar director configurations. A linear stability analysis on the static planar configurations shows that the system exhibits stable deformations.     

Soliton-like molecular deformations in a nematic liquid crystal film

We study the nature of molecular deformations in a nematic liquid crystal film with elastic energy under homeotropic boundary conditions. The deformation in terms of splay, twist and bend fields of the director axis is found to be governed by the completely integrable Davey-Stewartson-I (DS-I) equation in (2+1) dimensions. Using the line soliton and breather solutions of the DS-I equation, the director axis is constructed, the components of which exhibit damped spatial oscillations. However, the splay and bend fields of the director axis exhibit localized structures of deformation.     

Growth and characterization of a novel organic NLO crystal: 4 – ethoxy benzaldehyde – n – methyl 4 – stilbazolium tosylate

The organic material 4‐Ethoxybenzaldehyde‐N‐methyl 4‐Stilbazolium Tosylate (EBST) is a new NLO material and new derivative in Stilbazolium Tosylate family. In this work we synthesized the EBST, the derivative of DAST. By slow evaporation method, we have grown the EBST crystal. Powder XRD confirms the crystalline property, the lattice parameters are calculated from single crystal XRD data and the molecular structure also revealed. The crystal system is found as monoclinic. The crystalline perfection is assessed by the high‐resolution X‐ray diffractometry. A single and reasonably sharp peak observed in the diffraction curve indicates that the quality of the crystal is quite good without having any internal structural grain boundaries. The FTIR and proton NMR study confirm the presence of functional groups. From the UV – Vis Far IR absorption spectra the good transparency is revealed. The Kurtz Perry SHG test confirms the NLO property of the EBST crystal grown and it is 11 times greater than urea. The melting point of the grown crystal is found to be 237°C from the DSC curve. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Investigation of γ-AlOOH and NiWO4-coated boehmite micro/nanostructure under UV/visible light photocatalysis

Research on Chemical Intermediates - A large-scale boehmite (γ-AlOOH) sphere and NiWO4-coated boehmite micro/nanostructured materials were synthesized via a facile two-step hydrothermal method...     

Surfactant-free dimer fatty acid polyamide/montmorillonite bio-nanocomposites

Polyamide bio-nanocomposites were successfully prepared using a surfactant-free approach. The clay morphology was fixed by dispersing the ammonium ion-exchanged clay in acetic acid. This was mixed with an acetic acid solution of the polyamide, and the composite was recovered by precipitation with water. The composites featured a mixed morphology containing some exfoliated clay sheets together with nano-sized clay tactoids. Bio-nanocomposites containing as much as 27.5 wt% clay were obtained. At this filler level, and depending on the temperature, the modulus was up to nine times higher than that of the parent polymer. Addition of clay also increased the glass transition temperature by as much as 5 °C. This indicates that the high interfacial surface area, presented by the clay platelets dispersed in the matrix, significantly impaired the polymer chain mobility.     

Vibrational spectra of cyclooctatetraenyl alkali metal complexes [C8H8M2 (M = Na, K)]: A theoretical study

The cyclooctatetraenyl dianion (C₈H₈²⁻) π-conjugated system forms a stable complex system with alkali and some transition metals. The results of vibrational analysis for C₈H₈M₂ (M = Na, K) complexes were reported here. The geometries of C₈H₈M₂ (M = Na, K) were optimized using ab initio (HF, MP2, CCSD(T)) and DFT (B3LYP) methods with 6-311G** and 6-311++G** basis sets and the harmonic frequencies were obtained. To reproduce and compare with the experimental values the structurally similar molecules C₅H₅M (M = Na, K) and benzene were studied. The scale factors obtained from these systems were applied to predict the experimental frequencies of C₈H₈M₂ (M = Na, K). The force field and vibrational spectra are analyzed and the most probable assignments are proposed for all the fundamentals based on the potential energy distribution.