Solvent-free palladium-catalyzed C–O cross-coupling of aryl bromides with phenols

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The monomolecular mechanism of the gas‐phase thermal decomposition of primary N‐nitramines

Using nonempirical methods and DFT‐methods the geometrical parameters formation enthalpies of molecules and radicals, energies dissociation of N? NO₂ bonds of primary and secondary N‐nitramines have been investigated. The basic tendencies in the changes of the geometrical and electronic structures, formation enthalpies, and dissociation energies have been analyzed in basic homologous series of nitramines. Various alternative mechanisms of the gas‐phase monomolecular thermal decomposition have been studied by of the example of N‐methylnitramine. The process of the aci‐form formation and its further multistage destruction is the most advantageous way of decomposition of the primary N‐nitramines. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010     

Numerical analysis of edge effects in laminated composites under uniaxial compression

Edge effects in a laminated composite with two isotropic components under uniaxial compression are studied. Grid equations are derived using a modified variational difference method. Numerical results are analyzed     

One-pot two-step stannylation/Stille homocoupling of aryl bromides and iodides under solvent-free conditions

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Large magnetic anisotropy of chromium(III) ions in a bis(ethylenedithio)tetrathiafulvalenium salt of chromium bis(dicarbollide), (ET)<Subscript>2</Subscript>[3,3′-Cr(1,2-C<Subscript>2</Subscript>B<Subscript>9</Subscript>H<Subscript>11</Subscript>)<Subscript>2</Subscript>]

The synthesis of a radical-cation salt based on a derivative of tetrathiafulvalene, (ET)₂[3,3′-Cr(1,2-C₂B₉H₁₁)₂] (ET?=?bis(ethylenedithio)tetrathiafulvalenium), was accomplished by electrochemical anodic oxidation of ET in the presence of (Me₄N)[3,3´-Cr(1,2-C₂B₉H₁₁)₂] in the galvanostatic regime. An electric conductivity σ (293 K)?=?7 × 10^?3 Ohm^?1 cm^?1 with semiconductor activation energy E_a???0.1 eV in the range of 127–300 K was observed. The crystal structure of (ET)₂[3,3′-Cr(1,2-C₂B₉H₁₁)₂] was determined by X-ray diffraction at 173 K, revealing the presence of structural tetramers in radical-cation stacks. The magnetic properties of the complex were investigated in the temperature range 1.8–300 K using magnetometry and EPR, showing that the magnetic structure of (ET)₂[3,3′-Cr(1,2-C₂B₉H₁₁)₂] consists of two independent magnetic subsystems. Cation radicals form a rectangular magnetic lattice in the ab-plane with significant antiferromagnetic exchange interactions. The chromium bis(dicarbollide) anions are characterized by unusually strong positive zero-field splitting of the Cr(III) ions, which was confirmed by ab initio calculations.     

Hydrooptical laser sensing under controllable conditions

Experiments on laser sensing of water under conditions simulating the operation of a laser radar mounted onboard an airplane have been carried out. Values of water extinction index reconstructed from lidar signals are presented, and their dependence on the lidar field-of-view angle is established. These data are compared with the results of calculations by the Monte Carlo method. The experimental and calculated data are described by analytical expressions that differ only by proportionality coefficients. Simultaneously with the lidar, the extinction index was measured with a reference submersible transmissometer. A regression dependence between the lidar-derived extinction factors ε biased due to multiple scattering from their true values and the reference values of ε measured with the transmissometer is obtained. __________ Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 34–39, December, 2005.     

Edge effect in a laminated composite with longitudinally compressed laminas

The paper is concerned with the determination of edge effect zone in a laminated composite with laminas subject to longitudinal compression. The dependence of the maximum decay length on the ratio between the period of external loading and the structure parameter is studied. The load period depends on the number of unloaded laminas. The decay of the edge effect is analyzed by numerically solving a boundary-value problem of elasticity for piecewise-homogeneous materials and using a quantitative decay criterion for the near-edge normal stresses __________ Translated from Prikladnaya Mekhanika, Vol. 42, No. 8, pp. 89–96, August 2006.     

Tandem regio- and stereospecific cyclization of ethyl isonicotinate with cyanoacetylenic alcohols to provide novel polycondensed heterocyclic systems

Ethyl isonicotinate reacts with tertiary cyanoacetylenic alcohols under exceptionally mild conditions (room temperature, without catalyst or solvent) to afford novel polycondensed heterocyclic systems, 4,15-dioxa-7,12-diazapentacyclo[9.5.2.0^2,10.0^3,7.0^12,16]octadeca-8,17-dienes, in 30-68% yields. This tandem cyclization is regio- and stereospecific. Despite several asymmetric carbons (up to six) being present in the molecules, only one diastereomer is formed and both cyanomethylidene fragments possess exclusively Z-configuration. The tandem sequence includes the formation of 1,3-oxazolidino-1,2-dihydropyridines which undergo Diels-Alder cyclodimerization to give the final products.     

Unexpected diastereoselective one-pot assembly of hexahydroazulenones from 2-alkylcyclohexanones and arylacetylenes in KOH/DMSO suspension

2-Alkylcyclohexanones react with arylacetylenes (KOH/DMSO, 100 °C, 1 h) to afford unexpectedly hexahydroazulenones in 34-50% yields and ca. 100% diastereoselectivity (instead of the expected acetylenic alcohols), the minor products being isomeric arylethenyl ketones.