Three New d~(10) Coordination Polymers with Arenedisulfonates:Syntheses,Crystal Structures and Luminescent Properties

Three new cadmium or zinc arenedisulfonate complexes [Zn（bpp）2（L）]n 1, { [Cd（bpp）2（1,5-NDS）（H2O）2]·4H2O }n 2 and { [Cd（bpp）2（H2O2）2]·（1,5-NDS） } n 3 （L = 4,4′-bis（2-sulfonatostyryl）biphenyl, bpp = 1,3-di（4-pyd-dyl）propane and 1,5-NDS = 1,5-Naphthalenedisulfonate） have been synthesized from aqueous solution and structurally characterized by infrared spectroscopy, elemental analysis and single-crystal X-ray diffraction. Crystal data for complex 1： space group P21/n, a = 10.559（3）, b = 13.138（4）, c = 17.623（5）A^°, β = 100.852（3）°, V = 2400.9（12） A^°^3 Z = 2, Dc= 1.351 g/cm^3, F（000） = 1016, μ = 0.654 mm^-1, the final R = 0.0412 and wR = 0.0994; Crystal data for complex 2： space group P^-1, a = 8.5642（19）, b = 10.076（3）, c = 12.114（3） A^°, α = 81.623（7）, β = 77.149（8）, γ = 82.787（7）°, V = 1003.6（4） A^°^3 Z = 1, Dc= 1.495 g/cm^3, F（000） = 466,μ = 0.713 mm^3, the final R = 0.0241 and wR = 0.0713; Crystal data for complex 3： space group C2/c, a = 21.6024（15）, b = 9.4608（5）, c = 18.4656（11）A^°, β = 107.359（3）°, V= 3602.0（4）A^°^3 Z = 4, Dc= 1.533 g/cm^3, F（000） = 1704,μ = 0.780 mm^-1, the final R = 0.0229 and wR = 0.0572. The X-ray single diffraction reveals that 1 exhibits a 3D metal-organic framework formed from 2D Zn（bpp）2^2＋ networks connected by L in the third dimension; 2 and 3 possess 3D and 2D architectures constructed from 1D polymeric chains through H-bond. Complexes 1-3 display photoluminescent emissions at 452 and 335 nm, respectively.     

三维漏斗中颗粒物质堵塞问题的数值实验研究

对于工程和实验中使用漏斗颗粒流而言,连续稳定的流量是必要的.当漏斗口较小时,很容易发生堵塞行为.堵塞现象对于交通流、疏散问题等也具有重要的意义.前人主要使用扰动的方法破坏漏斗中已有的堵塞,以便引起下一次堵塞,加快实验进程.本文利用自主开发的基于GPU(graphics processing unit)的密集颗粒流模拟程序,主要研究当三维漏斗开口打开后的第一次堵塞行为,不再引入扰动.详细讨论了漏斗开口尺寸、漏斗锥角等几何参数对坍塌规模的影响.发现对于坍塌规模的概率分布符合前人的研究结果,可以分为两部分:峰的左边呈幂函数上升形式,峰的右边呈指数衰减趋势.对于漏斗开口尺寸和漏斗锥角而言,均存在一个临界值使得堵塞不再发生.     

粒径对激光驱动颗粒溅射动力学特征的影响

激光脉冲辐照材料靶面产生的等离子体的演化过程会对靶面施加一脉冲式冲击压.当被辐照的靶材为离散颗粒堆积物时,激光冲击压在靶面能够驱动颗粒发生溅射现象.本文选用中值直径分别为84, 109, 184,234μm且具有窄粒径分布的干燥石英砂堆积形成离散颗粒靶,并采用波长为1064 nm的Nd:YAG纳秒激光脉冲与其相互作用产生的冲击压驱动石英颗粒发生溅射,同时通过高速摄像机记录溅射过程,研究了粒径对激光驱动颗粒溅射动力学特征的影响.通过分析高速影像发现,激光驱动的颗粒溅射在时间尺度上可以分为两个特征明显的过程,即持续百微秒垂直于靶面方向的快速早期溅射过程和持续几十毫秒扇形颗粒帘结构的慢速后期溅射过程.前者对应的颗粒出射动能呈现出了随粒径的增加而增大的趋势,后者对应的沿径向扩张的帘底直径D随时间t的演化规律遵循点源模型的描述:D(t)=αt~β,系数α的拟合值随粒径的增加而减小,幂指数β的拟合值却呈现出了随粒径增加而增大的趋势.通过细致考虑粒径依赖的颗粒在气流中的冲量耦合效率,以及粒径依赖的激光与颗粒靶相互作用产生的等离子体特征,对以上实验观察给予了合理的解释.本研究加深了人们对激光驱动颗粒溅...     

New Zn(Ⅱ)/M(Ⅰ)(M=Na,K and Rb) Metal-organic Frameworks Based on 5-Methylisophthalic Acid Ligand:Syntheses,Structures and Fluorescent Property

Reactions of Zn(NO3)2·6H2O and MNO3(M = Na, K and Rb) with H2mip(H2mip = 5-methylisophthalic acid) in DMF(DMF = N,N′-dimethylformamide) resulted in the formation of novel heterometallic metal-organic frameworks(Me2NH2)[ZnM(mip)2](1: M = Na; 2: M = K; 3: M = Rb, mip = 5-methylisophthalate dianion for 1~3). These complexes belong to the monoclinic system, space group P2/c and have been fully characterized by satisfactory elemental analysis, FT-IR spectra, TGA and single-crystal X-ray diffraction. Single-crystal X-ray diffraction studies reveal that 1~3 are 3D isomorphic structures based on a trinuclear unit {ZnM2(?2-COO)2(?3-COO)2} and exhibit pcu topological net and blue fluorescence.     

A New Acentric Heterometallic Inorganic-organic Hybrid Framework [ZnK_2(m-BDC)_2(H_2O)_2]n: Fluorescent,NLO and Ferroelectric Properties

Solvothermal reactions of Zn(NO3)2·6H2O with isophthalic acid in the presence of potassium nitrate lead to an acentric three-dimensional(3D) hetero-metallic inorganic-organic hybrid framework [ZnK2(m-BDC)2(H2O)2]n(1, m-H2 BDC = benzene-1,3-dicarboxylic acid). The crystal was characterized by elemental analysis, IR spectroscopy, TGA and single-crystal X-ray diffraction analysis. Complex 1 is of orthogonal crystal system, acentric space group Cmc21 with a = 19.764(6), b = 19.948(6), c = 12.039(4) , V = 4746(3) 3, Z = 4, C32H20O19K4Zn2, Mr = 995.66, Dc = 1.393 g/cm3, F(000) = 2000 and μ = 1.426 mm-1. The final R = 0.0761 and wR = 0.1841. The crystal exhibits remarkable blue luminescence emissions with high quantum yield of 56.02% and displays modest powder SHG efficiency of about 0.7 times that produced by a potassium dihydrogen phosphate(KDP) powder. In addition, it also exhibits potential ferroelectric property.     

NUMERICAL SOLUTION OF THE SINGULARLY PERTURBED PROBLEM FOR THE HYPERBOLIC EQUATION WITH INITIAL JUMP

In this paper we consider the initial-boundary value problem for a second orderhyperbolic equation with initial jump.The bounds on the derivatives of the exact solutionare given.Then a difference scheme is constructed on a non-uniform grid.Finally,uniformconvergence of the difference solution is proved in the sense of the discrete energy norm.     

A CLASS OF VARIATIONAL DIFFERENCE SCHEMES FOR A SINGULAR PERTURBATION PROBLEM

In this paper,a singularly perturbed boundary value problem for second order self-adjoint ordinary differential equation is discussed.A class of variational difference schemesis constructed by the finite element method.Uniform convergence about small parameter isproved under a weaker smooth condition with respect to the coefficients of the equation.The schemes studied in refs.[1],[3],[4]and[5]belong to the class.     

非线性二阶奇异摄动常微分方程的数值解

本文讨论一个拟线性常微分方程边值问题。首先给出解的较为精确的导数估计。采用一种新的方法给出差分格式并证明一阶一致收敛。最后对非线性差分方程组给出一个单调收敛的迭代法。数值例子验证了理论结果。