“Synthesis,design and characterization of supramolecular self-assembly of calix[4]resorcinare substituted LCs”

A new class of supramolecular calix[4 (a) Kuang, G.C., Jia, X.R., Teng, M.J., Chen, E.Q., Li, W.S., Ji, Y., Chem Mater. 2012, 24,71–80; (b) Macros, M., Omenat, A., Serrano, J.L., and Ezcurra, A., Adv. Mater. 1992, 4, 285–287.[Crossref], [Web of Science ®] , [Google Scholar], [Google Scholar]]resorcinarene substituted alkoxy side chain (-OC₅H₁₁, -OC₈H₁₇, -OC₁₀H₂₁) has been synthesized and well characterized. These supramolecular compounds were investigated by polarizing optical microscope (POM), differential scanning calorimetry (DSC), thermogravimmetric analysis (TGA) and high-temperature X-ray diffraction studies (XRD). The present synthesized supramolecular derivatives are promising to stabilize the hexagonal columnar phase over a broad thermal range. All the synthesized derivatives showed hexagonal columnar phase at lower temperature and showed enantiotropical nature. Compound 2a with small alkyl spacer on eight side showed higher thermal stability as compare to higher alkyl spacer substituted compounds 2b and compound 2c. These research results suggest that calix[4 (a) Kuang, G.C., Jia, X.R., Teng, M.J., Chen, E.Q., Li, W.S., Ji, Y., Chem Mater. 2012, 24,71–80; (b) Macros, M., Omenat, A., Serrano, J.L., and Ezcurra, A., Adv. Mater. 1992, 4, 285–287.[Crossref], [Web of Science ®] , [Google Scholar], [Google Scholar]]resorcinarene was a good platform to construct bowl-shaped derivatives to exhibits the columnar liquid crystal phase and the observed liquid crystalline properties were greatly effected by the substituted alkoxy side chain on eight side of calix[4 (a) Kuang, G.C., Jia, X.R., Teng, M.J., Chen, E.Q., Li, W.S., Ji, Y., Chem Mater. 2012, 24,71–80; (b) Macros, M., Omenat, A., Serrano, J.L., and Ezcurra, A., Adv. Mater. 1992, 4, 285–287.[Crossref], [Web of Science ®] , [Google Scholar], [Google Scholar]]resorcinarene skeletone. All the synthesized compounds were characterized by FT-IR, ¹H NMR and ¹³C NMR spectroscopy.     

Synthesis and Characterization of New Dibenzothiophene-based Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes

A series of bipolar host materials containing dibenzo[b,d]thiophene (DBT) or dibenzo[b,d]thiophene 5,5-dioxide core were successfully synthesized, and their physical, photophysical, and electrochemical properties were investigated. The three host materials showed well-localized electron distribution at the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) states, as evidenced by theoretical calculations. Triplet energies of the new host materials are higher than 2.6 eV, and the blend film with bis[2-(4,6-difluorophenyl)pyridinato-C² Misra, A. et al. (2006). Semicond. Sci. Technol., 21, R35.[Crossref], [Web of Science ®] , [Google Scholar],N](picolinato)iridium(III) (FIrpic) as a blue phosphorescent dopant showed highly efficient energy transfer between the host material and dopant.     

The effect of tourmaline additives in TiO2 photoanode for high-efficiency dye sensitized solar cells

Tourmaline is a kind of borosilicatemineral and has spontaneous polarization property. Due to this property, it can generate a feeble current around 0.06 mA[1 O'Regan, B., &; Grätzel, M. (1991). Nature 353, 737.[Crossref], [Web of Science ®] , [Google Scholar]]. We fabricated the TiO₂ photoanode with different wt.% ratio of tourmaline and investigated the effect of tourmaline additive on dye sensitized solar cells (DSSCs). We carried out electrochemical impedance spectroscopy (EIS) and current density-voltage (J-V) measurement. The results showed that the electron lifetime and the power conversion efficiency of the DSSCs with TiO₂ photoanode containing 3wt% tourmaline were enhanced by about 42% and 20%, respectively, as compared to the DSSCs using pristine TiO₂ photoanode.     

Synthesis and crystal structure of new phosphate NaFe 4 2+ Fe 3 3+ [PO4]6

New sodium iron orthophosphate NaFe ₄ ²⁺ Fe ₃ ³⁺ [PO₄]₆ was synthesized by the hydrothermal method. The crystal structure (sp. gr. $P\bar 1$ ) was established by the heavy-atom method, with the exact chemical formula of the compound being unknown; R _hkl = 0.0492, R _whkl = 0.0544, S = 0.52. The new compound is analogous to iron phosphate Fe ₃ ²⁺ Fe ₄ ³⁺ [PO₄]₆ studied earlier. However, these two compounds differ in the Fe²⁺ and Fe³⁺ contents, because Na⁺ ions in the new compound are located at the centers of symmetry not occupied earlier.     

Refinement of the crystal structures of synthetic nickel- and cobalt-bearing tourmalines

The crystal structures of synthetic tourmalines with a unique composition containing 3d elements (Ni, Fe, and Co) have been refined: (Ca_0.12?_0.88)(Al_1.69Ni _0.81 ²⁺ Fe _0.50 ²⁺ )(Al_5.40Fe _0.60 ³⁺ )(Si_5.82Al_0.18O₁₈)(BO₃)₃(OH)_3.25O_0.75 I, a = 15.897(5), c = 7.145(2) Å, V = 1564(1) Å; Na_0.91(Ni _1.20 ²⁺ Cr _0.96 ³⁺ Al_0.63Fe _0.18 ²⁺ Mg_0.03)(Al_4.26Ni _1.20 ²⁺ Cr _0.48 ³⁺ Ti_0.06)(Si_5.82Al_0.18)O₁₈(BO₃)₃(OH)_3.73O_0.27 II, a = 15.945(5), c = 7.208(2) Å, V = 1587(1) ų and Na_0.35(Al_1.80Co _1.20 ²⁺ )(Al_5.28Co _0.66 ²⁺ Ti_0.06)(Si_5.64B_0.36)O₁₈(BO₃)₃(OH)_3.81O_0.19 III, a = 15.753(8), c = 7.053(3) Å, V = 1516(2) ų. The reliability factors are R ₁ = 0.038?0.057 and wR ₂ = 0.041–0.060. It is found that 3d elements occupy both Y- and Z positions in all structures. The excess positive charge is compensated for due to the incorporation of divalent oxygen anions into the O3(V)+O1(W) positions.     

Growth, thermal and spectral properties of Nd-doped NaGd(MoO4)2 crystal

Nd³⁺-doped NaGd(MoO₄)₂ crystal with dimensions were grown by Czochralski method. Nd³⁺:NaGd(MoO₄)₂ crystal melts at 1182 °C. The hardness of Nd³⁺:NaGd(MoO₄)₂ crystal is 334 VDH. The specific heat is 72.6 cal/mol K. The thermal expansion coefficients are for c-axis and for a-axis, respectively. The absorption cross-sections of Nd³⁺:NaGd(MoO₄)₂ crystal are with a FWHM of 9 nm at the 804 nm for π-polarization and with a FWHM of 17 nm at 807 nm for σ-polarization, respectively. The emission cross-section σ_em are at 1063 nm for π-polarization and 1.94×10^-20 at 1070 nm cm² for σ-polarization, respectively. The fluorescence lifetime τ_f is 93.9 μs at room temperature.     

Crystal structure of complex natural aluminum magnesium calcium iron oxide

The structure of a new natural oxide found near the Tashelga River (Eastern Siberia) was studied by X-ray diffraction. The pseudo-orthorhombic unit cell parameters are a = 5.6973(1) Å, b = 17.1823(4) Å, c = 23.5718(5) Å, β = 90°, sp. gr. Pc. The structure was refined to R = 0.0516 based on 4773 reflections with |F| > 7σ(F) taking into account the twin plane perpendicular to the z axis (the twin components are 0.47 and 0.53). The crystal-chemical formula (Z = 4) is Ca₂Mg ₂ ^IV Fe ₂ ^(2+)IV [Al ₁₄ ^VI O₃₁(OH)][Al ₂ ^IV O][Al^IV]AL^IV(OH)], where the Roman numerals designate the coordination of the atoms. The structure of the mineral is based on wide ribbons of edge-sharing Al octahedra (an integral part of the spinel layer). The ribbons run along the shortest x axis and are inclined to the y and z axes. The adjacent ribbons are shifted with respect to each other along the y axis, resulting in the formation of step-like layers in which the two-ribbon thickness alternates with the three-ribbon thickness. Additional Al octahedra and Mg and Fe²⁺ tetrahedra are located between the ribbons. The layers are linked together to form a three-dimensional framework by Al tetrahedra, Ca polyhedra, and hydrogen bonds with the participation of OH groups.     

Thermal Expansion of EuF<Subscript>2 + <Emphasis Type="Italic">x</Emphasis></Subscript> Single Crystals and Their Thermal Stability

Thermal expansion of an EuF_2.136 nonstoichiometric crystal with the fluorite structure type (Eu _0.864 ²⁺ Eu _0.136 ³⁺ F_2.136, lattice parameter 5.82171(5) Å) has been experimentally investigated in the temperature range of 9–500 K. The coefficient of thermal expansion is α = 15.8 × 10^–6 K^–1 at T = 300 K. The observed anomalies in the behavior of the coefficient of thermal expansion at T > 400 K are related to the oxidation processes with partition of Eu²⁺ ions. It is established by differential scanning calorimetry that the onset temperature of EuF_{2 + x} oxidation in air is 430 K and that this process occurs in three stages. X-ray diffraction analysis shows that the oxidation is accompanied by the formation of a phase mixture based on two modifications of the Eu _{1– y} ³⁺ Eu _y ²⁺ F_3–y solid solution with the structure types of tysonite (LaF₃), orthorhombic β-YF₃ phase, and europium oxyfluorides of variable composition EuO_1–xF_{1 + 2x}, with dominance of the latter.