Journal of Structural Chemistry - N-isocyaniminotriphenylphosphorane (Ph3PNNC) is a type of iminophosphorane which is an important reagent in synthetic organic chemistry and a ligand in metallic... 相似文献
A novel ozone (O3) sensor is fabricated using commercial metal oxide field effect transistor (MOSFET), modified with single-walled carbon nanotubes (SWCNTs). In this study, integrated circuit (IC: BS250) was selected as the selective probe for O3 detection. For this purpose, a plastic cover on the surface of the drain was drilled to bare the drain surface, followed by its modification with nitrogen and sulfur-functionalized SWCNTs by chemical vapor deposition (CVD) process. The CVD-synthesized SWCNTs were then electrodeposited with FeOOH nanostructures. According to the figures of merit, the fabricated sensor gave a linear output from 20 to 450 parts per billion (ppb). Detection limit was also 4.1?ppb. Relative standard deviation (RSD) for seven replicate analyses was 3.61%. Based on 90% of maximum response (t90), the response time was ~1.5?min. Calibration sensitivity was measured to 1.3?mV/ppb. No interference was observed, when introducing at least 500 folds of interferences of gaseous species such as H2O, HCl, H2S, O2, H2, CO, CO2, NO2, SO2, Cl2, C2H2, CH4 and volatile organic compounds (VOCs) to 250?ppb of O3 solution. Reliability of the sensor was also evaluated via determination of O3 in different air samples. 相似文献
A novel one-pot, five-component synthesis of 1-(alkylimino)-5,5-dicyano-3a-aryloctahydro-3-oxacyclobuta[cd]pentalene-1a,2,5a,5b(2H,3aH)-tetracarboxylates is described. A mixture of phenacyl bromide, malononitrile, isocyanide, and two equivalents of a dialkyl acetylenedicarboxylate undergoes a novel 1:1:1:2 addition reaction at ambient temperature in absolute ethanol to produce diastereoselectively the title compounds in good yields. 相似文献
In this paper, an extended finite difference time domain (FDTD) algorithm for the full-vectorial analysis of photonic crystal
fibers has been derived. For achieving a good convergence and high accuracy, a kind of modified conformal FDTD method has
been applied. An anisotropic perfectly matched layer for truncation of boundary conditions has been introduced. Material and
chromatic dispersions are numerically investigated for the photonic crystal fibers with different dimensions and geometrical
parameters and different dispersion behaviors are exhibited. 相似文献
Sulfonyl‐ketenimine intermediates, generated by the addition of Cu acetylides to sulfonyl azides, are trapped by KSeCN to afford N‐sulfonyl‐2‐alkaneimidoyl selenocyanates in moderate‐to‐good yields. 相似文献
The adsorption of OCN− (cyanato anion) on boron nitride (B12N12 and B16N16) and boron phosphide nano-cages (B12P12 and B16P16) in terms of energetic, geometric, and electronic properties are studied using density functional theory calculations. Our study results indicated that the first OCN− strongly prefers to be adsorbed from its N atom upon B atoms of the nano-cages than the O atoms of OCN−. These findings have been rationalized using frontier molecular orbitals and total electron density plots. The energy gap of the B12P12 is significantly reduced upon the adsorption of OCN− compared to B12N12, thus leading to the increase in electrical conductance of nano-cage. 相似文献
In the present work, the molecular structures of two new synthesized dyes:(4,6-dimethylpyrimidin-2-ylamino)(5-p-tolylisoxazol-3-yl)methanol(PS-1) and N-(4,6-dimethylpyrimidin-2-yl)-5-phenylisoxazole-3-carboxamide(PS-2), have been investigated using density functional theory(DFT) in dimethylformamide(DMF) for the first time. The electronic spectra of new dyes in a DMF solvent were carried out by time dependent density functional theory(TD-DFT) method. After quantum-chemical calculations two new dyes for the optoelectronic applications were synthesized. FT-IR spectra of the title compounds are recorded and discussed. NucleusIndependent Chemical Shifts(NICS) calculations have also been carried out for the title compounds. The computed absorption spectral data of the title compounds are in good agreement with the experimental data, thus allowing an assignment of the UV spectra. The HOMO and LUMO molecular orbitals, excitation energies and oscillator strengths for the dyes have also been calculated and presented. 相似文献
Russian Journal of Physical Chemistry A - In the present work, the adsorption of the molecule cytosine on carbon nanotube [CNT] (6,6-6) was investigated for the first time using density functional... 相似文献
In this study, an analytical procedure for the bending problem of a viscoelastic sandwich plate with a corrugated core is presented. Reissner–Mindlin plate theory and N-termed Prony series are employed to define the elastic and time-dependent contributions of the governing equations, respectively. Three different corrugation patterns, i.e., rectangular, trapezoidal, and triangular, are examined. Moreover, the structure is analyzed under both simply support and clamp boundary conditions. The calibrated material parameters of polymethyl methacrylate (PMMA) for the Generalized Maxwell rheological model are employed to show the viscoelastic response of the structure. A 3D finite element simulation of the problem is also conducted to confirm the accuracy of the analytical formulation. The two well-known creep and stress relaxation phenomena of the viscoelastic materials are examined for the mentioned corrugation cores and both boundary conditions analytically and numerically. The time-dependent dimensionless deflection and resultant von Mises stress distributions are provided. Besides, the variation of the results with various rise-times and applied load are studied in detail. The von Mises stress contours of the upper surface of the structure at the end of the creep test are also presented. The finite element method outcomes verify the analytical results with excellent compatibility. The proposed analytical procedure can be used as an efficient tool to study the effects of various parameters such as material, geometrical constants, and corrugation pattern on bending of viscoelastic sandwich plates with corrugated core problems for design and optimization, which involves a high number of simulations.