Mechanism of direct oxidation of cyclohexene to cyclohexanone with nitrous oxide. Theoretical analysis by DFT method

New very effective results on the liquid-phase oxidation of cyclohexene to cyclohexanone by nitrous oxide are analyzed using the B3LYP/6-31G* approximation to predict a two-step reaction mechanism correlated with the experimental data.     

S-benzylation of arylidene thiobarbituric acids under phase-transfer catalysis

Russian Journal of General Chemistry -     

Synthesis of cubic ZrWMoO8 by a melt quenching method

We report a novel approach for fabrication of cubic ZrWMoO₈ applying a melt quenching method. The stoichiometric mixture of ZrO₂, WO₃ and MoO₃ in a 1:1:1 M ratio was melted and quenched at room temperature by pouring the melts between two metal plates. The quenched sample was characterized by X-ray diffraction (XRD), differential thermal analysis (DTA) and scanning electron microscopy (SEM) analysis. As quenched material is polyphase contains above 70% ZrWMoO₈. The obtained composite is thermal stable up to 930 °C. The ZrWMoO₈ was indexed as cubic with a lattice parameter a = 9.1263 (3) Å calculated by the “PowderCell” program. By SEM observation it was established that the microstructure of bulk composite material is built up of one-direction orientated agglomerates with cuboid crystal morphology.     

ChemInform Abstract: A New n = 4 Layered Ruddlesden—Popper Phase K2.5Bi2.5Ti4O13 Showing Stoichiometric Hydration.

Polycrystalline K_2.5Bi_2.5Ti₄O₁₃ (I) is prepared by solid state reaction of KNO₃, Bi₂O₃, and TiO₂ (Al₂O₃ crucible, 750 °C, 16 h).     

ChemInform Abstract: YCa3(CrO)3(BO3)4: A Cr3+ Kagome Lattice Compound Showing No Magnetic Order Down to 2 K.

Polycrystalline gaudefroyite‐type YCa₃(CrO)₃(BO₃)₄ with Cr³⁺ ions (3d³, S = 3/2) forming an undistorted Kagome lattice is prepared by reaction of a stoichiometric mixture of Y₂O₃, CaCO₃, Cr₂O₃, H₃BO₃ in a KCl flux (Al₂O₃ crucible, 1000 °C, 1 d) followed by re‐grinding and further annealing (1000 °C, 2 d, 95% yield).     

Aluminum nitride substrates for ultraviolet light-emitting diode structures

Currently, wafers of aluminum nitride cut from bulk aluminum nitride crystals (AlN) grown by sublimation are considered promising substrates for obtaining light-emitting diode structures based on nitrides of the third group. In this study, the structural characteristics and electrical properties of AlN, as a prospective substrate material for light-emitting diode heterostructures based on AlGaN/GaN, were investigated. The substrate working surface ((0001) plane, Al-polar) was specifically prepared for epitaxial growth using chemical-mechanical polishing. The surface roughness (“epi-ready”), as estimated by atomic force microscopy, did not exceed 0.3 nm.