Synthesis and characterization of a tetrazolate-bridged coordination framework encapsulating D2h-symmetric cyclic (H2O)4 cluster arrays

Reaction of 5,5'-(1,4-phenylene)bis(1H-tetrazole), which was prepared in two steps, with cadmium nitrate in DMF produced a three-dimensional framework with one-dimensional channels (35% void volume), in which unprecedented hydrogen-bond-supported D(2)(h)() tetrameric cyclic water clusters ranked.     

Reaction of dichloromaleic anhydride with 1,8-diaminonaphthalene: Synthesis and X-ray diffraction structure of 8,9-dichloropyrrolo[1,2-a]perimidin-10-one

The reaction of dichloromaleic anhydride with 1,8-diaminonaphthalene in refluxing toluene or 1,2-dichloroethane produces the new heterocyclic compound 8,9-dichloropyrrolo[1,2-a]perimidin-10-one in low yields. 8,9-Dichloropyrrolo[1,2-a]perimidin-10-one has been isolated by column chromatography and characterized in solution by IR, ¹H NMR, and UV/vis spectroscopies. The solid-state structure was unequivocally established by single-crystal X-ray diffraction analysis. 8,9-Dichloropyrrolo[1,2-a]perimidin-10-one crystallizes in the monoclinic space group P2 ₁/c, a = 7.475(1)Å, b = 10.650(2)Å, c = 14.468(2)Å, = 94.478(2)°, V = 1148.3(3) ų, Z = 4, and d _calc = 1.672 Mg/m³; R = 0.0289, R _w = 0.0762 for 1644 reflections with I > 2(I). The nature of the HOMO and LUMO in 8,9-dichloropyrrolo[1,2-a]perimidin-10-one has been determined by extended Hückel molecular orbital calculations, and these data are discussed relative to the cyclic voltammetric data obtained at a platinum electrode.     

Optical fiber humidity sensor based on evanescent-wave scattering

The phenomenon of evanescent-wave scattering (EWS) is used to design an optical-fiber humidity sensor. Porous solgel silica (PSGS) coated on the surface of a silica optical-fiber core scatters evanescent waves that penetrate the coating layer. Water molecules in the gas phase surrounding the optical fiber can be absorbed into the inner surface of the pores of the porous silica. The absorbed water molecules form a thin layer of liquid water on the inner surface of the porous silica and enhance the EWS. The amount of water absorbed into the PSGS coating is in dynamic equilibrium with the water-vapor pressure in the gas phase. Therefore the humidity in the air can be quantitatively determined with fiber-optic EWS caused by the PSGS coating. The humidity sensor reported here is fast in response, reversible, and has a wide dynamic range. The possible interference caused by EWS to an optical-fiber gas sensor with a reagent-doped PSGS coating as a transducer is also discussed.     

The shock formation distance in a bounded sound beam of finite amplitude

This paper investigates the shock formation distance in a bounded sound beam of finite amplitude by solving the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation using frequency-domain numerical method. Simulation results reveal that, besides the nonlinearity and absorption, the diffraction is another important factor that affects the shock formation of a bounded sound beam. More detailed discussions of the shock formation in a bounded sound beam, such as the waveform of sound pressure and the spatial distribution of shock formation, are also presented and compared for different parameters.     

Climbing the density functional ladder: nonempirical meta-generalized gradient approximation designed for molecules and solids

The electron density, its gradient, and the Kohn-Sham orbital kinetic energy density are the local ingredients of a meta-generalized gradient approximation (meta-GGA). We construct a meta-GGA density functional for the exchange-correlation energy that satisfies exact constraints without empirical parameters. The exchange and correlation terms respect two paradigms: one- or two-electron densities and slowly varying densities, and so describe both molecules and solids with high accuracy, as shown by extensive numerical tests. This functional completes the third rung of "Jacob's ladder" of approximations, above the local spin density and GGA rungs.     

Solubility of room-temperature ionic liquid in supercritical CO2 with and without organic compounds

Ionic liquid can dramatically dissolve in supercritical (sc) CO2 with polar organic compounds (ethanol, acetone) especially as the concentration of the compounds in scCO2 exceeds 10 mol%, while the effect of a nonpolar organic compound (n-hexane) in scCO2 on the solubility is very limited even when its concentration is as high as 30 mol%.     

Medicinal foodstuffs. XXXI. Structures of new aromatic constituents and inhibitors of degranulation in RBL-2H3 cells from a Japanese folk medicine,the stem bark of Acer nikoense

Four new aromatic constituents, rhododendroketoside, (-)-sakuraresinoside, acernikol, and nikoenoside, were isolated from a Japanese folk medicine, the stem bark of Acer nikoense MAXIM. The structures of the new constituents were determined on the basis of chemical and physicochemical evidence. The principle cyclic diarylheptanoids were found to show inhibitory effects on the release of beta-hexosaminidase in RBL-2H3 cells.     

Synthesis,separation, and assignment of the seven geometric isomers of [Co(dien)(ibn)Cl]2+

All seven possible geometric isomers (four mer and three facial) for the [Co(dien)(ibn)Cl](2+) system have been synthesized (dien = diethylenetriamine, ibn = 1,2-diamino-2-methylpropane). Their structures in dimethyl sulfoxide solution have been uniquely determined by two-dimensional NMR spectroscopy (DQCOSY and NOESY).     

Measurements of single-molecule electromechanical properties

The electromechanical properties of a single molecule covalently attached to two gold electrodes are studied by simultaneously measuring the conductance and the force during the stretching of the molecule. The conductance, the spring constant of the molecular junction, and the dependence of the conductance on the stretching force are determined. Like the conductance, the spring constant of a molecule depends also on the molecule-electrode contacts. The forces required to break the molecule-gold contacts are 1.5 nN for alkanedithiols and 0.8 nN for 4,4' bipyridine, indicating that the breakdowns take place at the Au-Au bond and at the N-Au bond, respectively.