Fluoride ion detection by 8-hydroxyquinoline-Zr(IV)-EDTA complex

A simple fluorescent detection based on the ligand exchange mechanism is proposed for the fluoride ion in aqueous media. This procedure is based on the exchange of 8-hydroxyquinoline (oxine) coordinated to Zr(IV) by fluoride ion without interference from other common anions. The ternary complex of oxine with [Zr(H(2)O)(2)EDTA].2H(2)O formed by replacing two water molecules in aqueous solution provides a sensitive signalling system for fluoride ion in the concentration range from 6 x 10(-7)M to 8 x 10(-4)M. The green fluorescence (lambda(max)=532 nm) exhibited by the complex upon excitation at 247 nm decreases in intensity with fluoride addition with a detection limit of 12 ppb. The complexation reaction between oxine and Zr(IV)-EDTA and the ligand exchange reaction with fluoride ion has been investigated by UV-vis and fluorescence spectroscopies combined with the PM3 semi-empirical quantum chemical calculations. Job's method of continuous variation and the molar ratio method ascertain a 1:1 stoichiometry composition of the chelate in aqueous media.     

First-Principles Study of Electronic and Optical Properties of Y1-xCaxTiO3 （x=0, 0.25, 0.5, 0.75）

The full potential linearized augmented plane wave （FP-LAPW） method with the generalized gradient approximation （GGA） is applied to study the electronic and optical properties of perovskite-type compounds Y1-xCaxTiO3. The lattice parameters, magnetic moment, band structure, density of states and optical conductivity are obtained. The results show that the Ca ion plays an important role in the electronic properties and optical responses. Moreover, the optical properties including the dielectric function, absorption spectrum, extinction coefficient, energy-loss spectrum and refractive index are also discussed.     

Asymptotic Solutions for Australian Options with Low Volatility

Abstract

In this paper we derive asymptotic expansions for Australian options in the case of low volatility using the method of matched asymptotics. The expansion is performed on a volatility scaled parameter. We obtain a solution that is of up to the third order. In case that there is no drift in the underlying, the solution provided is in closed form, for a non-zero drift, all except one of the components of the solutions are in closed form. Additionally, we show that in some non-zero drift cases, the solution can be further simplified and in fact written in closed form as well. Numerical experiments show that the asymptotic solutions derived here are quite accurate for low volatility.     

Unusual nucleation and growth of γ′ iron nitride upon nitriding Fe–4.75 at.% Al alloy

The influence of substitutionally dissolved Al in ferritic Fe–4.75 at.% Al alloy on the nucleation and growth of γ′ iron nitride (Fe₄N_{1? x} ) was investigated upon nitriding in NH₃/H₂ gas mixtures. The nitrided specimens were characterised employing optical microscopy, scanning electron microscopy, transmission electron microscopy, electron probe microanalysis and X-ray diffraction. As compared to the nitriding of pure ferrite (α-Fe), where a layer of γ′ develops at the surface, upon nitriding ferritic Fe–4.75 at.% Al an unusual morphology of γ′ plates develops at the surface, which plates deeply penetrate the substrate. In the diffusion zone, nano-sized precipitates of γ′ and of metastable, cubic (NaCl-type) AlN occur, having, with the ferrite matrix, a Nishiyama–Wassermann orientation relationship and a Bain orientation relationship, respectively. The γ′ plates contain a high density of stacking faults and fine ε iron nitride (Fe₂N_{1? z} ) precipitates, although the formation of ε iron nitride is not expected for the employed nitriding parameters. On the basis of dedicated nitriding experiments it is shown that the unusual microstructural development is a consequence of the negligible solubility of Al in γ′ and the obstructed precipitation of the thermodynamically stable, hexagonal (wurtzite-type) AlN in ferrite.     

High-Conversion-Efficiency and Broadband Tunable Femtosecond Noncollinear Optical Parametric Amplifier

We build a compact high-conversion-efficiency and broadband tunable noncollinear optical parametric amplifier （OPA） in the infra-red （IR） pumped by a femtosecond Ti：sapphire CPA laser. The OPA consists of an internal seed of white-light continuum generator （WLG） and two noncollinear optical parametric amplifiers. The tunable wavelength range is from 1.2μm to 2.4μm for both signal and idle pulses. The total OPA efficiency in the last OPA stage reaches about 40% in a wider tunable spectral range （from 1.3μm to 1.7μm for signal pulse, from 1.5μm to 2.0 μm for idle pulse respectively）.     

A Simple Route of Morphology Control and Structural and Optical Properties of ZnO Grown by Metal-Organic Chemical Vapour Deposition

Employing the metal-organic chemical vapour deposition （MOCVD） technique, we prepare ZnO samples with different morphologies from the film to nanorods through conveniently changing the bubbled diethylzinc flux （BDF） and the carrier gas flux of oxygen （OCGF）. The scanning electron microscope images indicate that small BDF and OCGF induce two-dimensional growth while the large ones avail quasi-one-dimensional growth. X-ray diffraction （XRD） and Raman scattering analyses show that all of the morphology-dependent ZnO samples are of high crystal quality with a c-axis orientation. From the precise shifts of the 20 locations of ZnQ （002） face in the XRD patterns and the E2 （high） locations in the Raman spectra, we deduce that the compressive stress forms in the ZnO samples and is strengthened with the increasing BDF and OCGF. Photoluminescence spectroscopy results show all the samples have a sharp ultraviolet luminescent band without any defects-related emission. Upon the experiments a possible growth mechanism is proposed.     

102Ru核振动到转动演化的微观研究

基于微观sdIBM-2方案和实验单粒子能量值, 在最普遍的哈密顿量下, 用两组不同的核子-核子等效相互作用参数, 分别很好地再现了¹⁰²Ru核的振动带能谱和转动带能谱及其演化过程. 微观和唯象的研究指认: 1) 这两种激发模式的共存区是能态8⁺₁—12⁺₁(即E_x=2.500—4.000 MeV); 态 8⁺_{1关键词： 微观sdIBM-2方案 形状演化 玻色子 102Ru核')" href="#">¹⁰²Ru核}     

102Ru核振动到转动演化的微观研究

基于微观sdIBM-2方案和实验单粒子能量值,在最普遍的哈密顿量下,用两组不同的核子.核子等效相互作用参数,分别很好地再现了102Ru核的振动带能谱和转动带能谱及其演化过程.微观和唯象的研究指认:1)这两种激发模式的共存区是能态81 -121 (即Ex=2.500-4.000 MeV);态81 是振动模式占据优势的能态,态121 是转动模式占据优势的能态,而状态101 则是两种模式的中立能态;2)态121 是141 态退耦到态101 辐射光子相变后的中间能态;3)从基态起直到201 态的yrast态全都是集体态,而以后出现的第一个拆对顺排态很可能就是中子h11/2的两准粒子态;4)这种结构的过渡不是很剧烈的,而是通过玻色子结构常数在过渡区中不大的改变来实现的.     

密度泛函理论计算内掺氢分子富勒烯H2@C60及其二聚体的几何结构和电子结构

采用密度泛函理论中的广义梯度近似(generalized gradient approximation, 简称GGA),对内掺氢分子富勒烯H2@C60及其二聚体的几何结构和电子结构进行了计算研究.发现无论是在H2@C60单体,还是在其二聚体中,氢倾向以分子形式存在于碳笼中心处,且在室温下氢分子可以做自由旋转.电子结构分析表明,氢分子掺入到C60和C120中,仅对距离费米能级以下-8eV至-5eV能级处有一定的贡献,其他能级的分布和能隙几乎没有变化.     

Recent progress on the frontiers of polyoxometalates structures and applications

<正>Polyoxometalates (POMs), a class of discrete anionic metal oxides in groups Ⅴ and Ⅵ, are constructed via the condensation of metal oxide polyhedral (MO_x, M=W~(Ⅵ), Mo~(Ⅵ),V~Ⅴ, Nb, Ta, etc. and x=4–7) with each other in a corner-,edge-, or rarely in a face-sharing manner [1–3]. Up to now,the broadening family of POM derivatives ranges from small