Physical and Electrochemical Characterization of Hydrothermal Prepared α'-NaV_2O_5 Crystals

α'-NaV2O5 was prepared by a simple hydrothermal process.X-ray diffraction confirmed the orthorhombic structure of α'-NaV2O5,with preferential growth along the (001) direction.Scanning electron microscopy showed α'-NaV2O5 was composed of flake-shaped crystals.X-ray photoelectron spectroscopy confirmed the co-existence of V4+ and V5+ in α'-NaV2O5,which results in an average V4.5+ oxidation state of α'-NaV2O5.The observed Raman bands are ascribed to different V―O vibrations.α'-NaV2O5 shows a reversible specific capacity of about 100 mA·h·g-1 between 3.5 and 1.0 V,with a good capacity retention.The good electrochemical stability of the material is attributed to its structural stability during Li+ intercalation.     

1,3,5-三甲苯的光电离的实验研究

利用超声分子束、真空紫外同步辐射和反射式飞行时间质谱仪开展1,3,5-三甲基苯(TMB,C9H12)的光电离和光解离研究.利用光电离质谱和光电离效率曲线,确定母体分子的电离能,主要碎片离子C9H+11和C8H+9的出现能分别为(8.32±0.03),(11.71±0.03)和(11.59±0.03)eV.根据经验公式,计算出形成C9H1+1和C8H+9的解离能(Ed)分别为(3.39±0.06)和(3.27±0.06)eV.再利用相关的热化学参数,推算出C9H1+2,C9H+11和C8H+9的标准生成焓为786.87,897.93和956.68kJ/mol.     

Novel facile detection of persistent organic pollutants using highly sensitive gas sensor

Persistent organic pollutants (POPs) are greatly noxious chemicals in environment, and they can cumulate in organisms and transfer between different species. Therefore, it is significant to detect POPs for both environmental evaluation and further treatment. However, developing facile approach for the detection of POPs still remains a challenge so far. In this paper, we report an innovative method for facile detection of POPs using gas sensor for the first time. Porous SnO₂ nanostructures with a special tri-walled structure prepared via hydrothermal route and annealing process, were employed as gas-sensing materials. Through gas measurements, it was revealed that the as-fabricated gas sensor exhibited highly sensitive performance towards target POPs, including methoxychlor, mirex, p,p′-DDT, and aldrin. Moreover, we found that target POPs were distinguishable by extracting characteristics in kinetic curves of gas adsorption-desorption. As the presented detecting approach is facile without the requirements of complex operations, expensive and bulky instruments, it is expected that it would be developed as a promising method for the detection of POPs, and thereby showing its significance for environmental monitoring.     

A three-component reaction between benzynes, the enolate of acetaldehyde, and unsaturated esters and dihydroisoquinolines

A three-component one-pot coupling between benzynes, the enolate of acetaldehyde and various electrophiles led to bicyclic and tetracyclic ring systems.     

一种新型噻二唑Schiff碱的合成及生物活性研究

为了寻找具有较高植物生长调节活性的物质,利用生物等排原理和亚结构连接法,对噻二唑母体进行修饰,将2-氨基-1,3,4-噻二唑与2,4-二氯苯甲醛反应,设计并合成了一个新的噻二唑席夫碱,并用FT-IR、1HNMR和元素分析方法确证其结构。合成的化合物具有一定的植物生长调节活性,具有一定的研究开发价值。     

Theoretical studies on the electronic structures and spectroscopic properties of a series of novel N?C?N‐coordinating Pt(II) complexes

The electronic structures and spectroscopic properties of the three tridentate cyclometalated Platinum(II) complexes PtL¹Cl [L¹ = 1,3‐di(2‐pyridyl)‐5‐methyl‐benzene] ( 1 ), PtL²Cl [L² = 1‐(2‐pyridyl)‐3‐(1‐pyrazolyl)‐5‐methyl‐benzene] ( 2 ), and PtL³Cl [L³ = 1,3‐bis(1‐pyrazolyl)‐5‐methyl‐benzene] ( 3 ) were calculated to explore their spectroscopic nature. The geometry structures of 1 – 3 in the ground and excited states were optimized under the density functional theory (DFT) and the single‐excitation configuration interaction (CIS) level, respectively. The absorption and emission spectra in CH₂Cl₂ solution were calculated by the time‐dependent density‐functional theory (TD‐DFT) with the polarized continuum model solvent model. As revealed from the calculations, the LUMO of 1 and 2 are localized on phenyl and pyridyl, but that of 3 has 50.3% π*(pyrazolyl) and 47.8% π*(phenyl). The energy gap of the d‐d state was much greater than that of the CT transitions. With the replacement of pyridyl by pyrazolyl, the electron‐donating ability of N atom decreases, whereas the LUMO energy level increases. The lowest‐energy absorptions and emissions are blue‐shifted in the order 1 > 2 > 3 , which are assigned as the ILCT/MLCT/LLCT and ³ILCT/³MLCT/³LLCT characters, respectively. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010     

B-site ordered perovskite LaSrMnNbO6: Synthesis, structure and antiferromagnetism

LaSrMnNbO₆ has been synthesized by high temperature solid state reaction under 1% H₂/Ar dynamic flow. The structure is determined by Rietveld refinement of the powder X-ray diffraction data. It crystallizes in the monoclinic space group P2₁/n with the unit cell parameters: a=5.69187(12), b=5.74732(10), c=8.07018(15) Å and β=90.0504(29)°, which were also confirmed by electron diffraction. The Mn²⁺ and Nb⁵⁺ ions, whose valence states are confirmed by X-ray absorption near-edge spectroscopy, are almost completely ordered over the B-site (<1% inversion) of the perovskite structure due to the large differences of both cationic size (0.19 Å) and charge. The octahedral framework displays significant tilting distortion according to Glazer’s tilt system a⁻b⁻c⁺. Upon heating, LaSrMnNbO₆ decomposes at 690 °C under O₂ flow or at 775 °C in air. The magnetic susceptibility data indicate the presence of long-range antiferromagnetic ordering at T_N=8 K; the experimentally observed effective paramagnetic moment, μ_eff=5.76 μ_B for high spin Mn²⁺ (3d⁵, S=5/2) is in good agreement with the calculated value (μ_calcd=5.92 μ_B).     

Experimental Study of Capacitive RF <Emphasis Type="Italic">c</Emphasis>-C<Subscript>4</Subscript>F<Subscript>8</Subscript> Discharge with Synchrotron Vacuum Ultraviolet Photoionization Mass Spectrometry

Capacitive radio frequency (RF) discharge of c-C₄F₈ (octafluorocyclobutane) has been studied with synchrotron vacuum ultraviolet (SVUV) photoionization mass spectrometry (PIMS) at 4 Torr and 33.33 kHz. Various free radicals and reactive intermediates have been identified through measurement of photoionization mass spectra and photoionization efficiency (PIE) spectra. CF₂=CF₂ is main product in the plasma, indicating that the dissociation of c-C₄F₈ into CF₂=CF₂ is one of prominent reactions in the present experimental conditions. The observation of large species including C₅F₈, C₅F₁₀ and C₆F₁₀ is presented in our work. Besides, the dependences of the signals of neutral species in the discharge of c-C₄F₈ on RF power are presented in this paper.     

Fabrication of double-walled carbon nanotube counter electrodes for dye-sensitized solar sells

Double-walled carbon nanotubes (DWCNTs) have been studied for counter-electrode application in dye-sensitized solar cells (DSCs). Mesoporous TiO2 films are prepared from the commercial TiO2 nanopowders by screen-printing technique on optically transparent-conducting glasses. A metal-free organic dye (indoline dye D102) is used as a sensitizer. DWCNTs are applied to substitute for platinum as counter-electrode materials. Morphological and electrochemical properties of the formed counter electrodes are investigated by scanning electronic microscopy and electrochemical impedance spectroscopy, respectively. The electronic and ionic processes in platinum and DWCNT-based DSCs are analyzed and discussed. The catalytic activity and DSC performance of DWCNTs and Pt are compared. A conversion efficiency of 6.07% has been obtained for DWCNT counter-electrode DSCs. This efficiency is comparable to that of platinum counter-electrode-based devices.