Crystal structure and spectroscopy of a hydrogen-bridged one-dimensional Cu(II) complex containing both octahedral and square pyramidal geometries in the same unit cell

Single crystals of the helical hydrogen-bridged one-dimensional Cu(II) complex, [Cu(stpy)₂(CH₃COO)₂(H₂O)₂] (1) [Cu(stpy)₂(CH₃COO)₂(H₂O)] (2), are prepared and characterized by elemental and thermal analyses, IR, electronic and X-ray crystal structure determination. The crystals are monoclinic, of space group C2/c, with unit cell parameters a = 31.842(7) Å, b = 5.9829(10) Å, c = 30.970(14) Å, = 111.78(3)°, Z = 4. The asymmetric unit contains two different types of Cu(II) polyhedra, namely, octahedron and square pyramid within the same unit cell. 1 has elongated octahedral geometry with two nitrogen atoms from stpy and two oxygen atoms from synmonodentate acetate ligands, transcoordinated to Cu(II) in the basal plane. The oxygen atoms of the two water molecules occupy the axial positions. 2 has Cu(II) coordination polyhedra similar to 1, except that only one of the apical positions is occupied by a water molecule. The structure consists of two independent linear chains, one involving octahedral (1) and the other involving square-pyramidal (2) polyhedra, held by hydrogen bridges. The Cu–Cu intra- and interchain separations in both 1 and 2 are 5.983 and 8.214 Å. The unit cell packing shows weak -stacking between adjacent coordinated stpy ligands in the chain, resulting in ladder-type structure. Further, the extended packing reveals helical arrangement of Cu(II) polyhedra in the lattice.     

反射型磁光多层膜隔离器的频率响应及宽容性研究

通过传输矩阵法分析了材料介电常数的变化对于单缺陷结构的磁光多层膜隔离器性能的响，并提出了一种多缺陷结构的磁光多层膜结构.同单缺陷结构相比，多缺陷结构的旋转角的频谱响应带宽有很大增加，对于材料介电常数变化的宽容性得到了一个数量级的提高.同时这种多缺陷的结构对于膜层厚度的变化和入射角度也有很好的宽容性. 关键词： 光隔离器 磁光效应 一维光子晶体     

Electromagnetic proton-neutron knockout off <Superscript>16</Superscript>O : New achievements in theory

Results for the cross-sections of the exclusive ¹⁶O(e, e'pn)¹⁴N and ¹⁶O(γ, pn)¹⁴N knockout reactions are presented and discussed in different kinematics. In comparison with earlier work, a complete treatment of the center-of-mass (CM) effects in the nuclear one-body current is considered in connection with the problem of the lack of orthogonality between initial bound and final scattering states. The effects due to CM and orthogonalization are investigated in combination with different treatments of correlations in the two-nucleon overlap function and for different parametrizations of the two-body currents. The CM effects lead in super-parallel kinematics to a dramatic increase of the ¹⁶O(e, e'pn) cross-section to the 1₂ ⁺ excited state (3.95MeV) of ¹⁴N . In all the situations considered the results are very sensitive to the treatment of correlations. A crucial role is played by tensor correlations, but also the contribution of long-range correlations is important.     

一维纳米材料的拉曼光谱学研究

本文将报告对硅纳米线、多孔硅、Si C纳米棒和碳纳米管等一维纳米体系的本征拉曼光谱及其特征的研究结果 ,并讨论拉曼光谱在上述材料的几何和物理特性研究中的应用。     

Analysis of diffuse-layer effects on time-dependent interfacial kinetics

We investigate the subtle effects of the diffuse charged layer on interfacial kinetics by solving the governing equations for ion transport (Nernst–Planck) with realistic boundary conditions representing reaction kinetics (Butler–Volmer) and compact-layer capacitance (Stern) in the asymptotic limit =λ_D/L→0, where λ_D is the Debye screening length and L is the distance between the working and counter electrodes. Using the methods of singular perturbation theory, we derive the leading-order steady-state response to a nonzero applied current in the case of the oxidation of a neutral species into cations, without any supporting electrolyte. In certain parameter regimes, the theory predicts a reaction-limited current smaller than the classical diffusion-limited current; this over potential effect is not due to ohmic drop effects in the bulk of the cell but rather to antagonist processes involved in the surface charge transfer and diffuse layer charging respectively. We demonstrate that the charging of diffuse charge, since it is intimately coupled to the surface reaction and cannot be considered independently, plays a fundamental role in nonequilibrium surface reactions when the transport of one of the reacting species is coupled to the total interfacial response of the compact and diffuse layers.     

Response to the comments by J.H. Evans on ‘On the onset of void ordering in metals under neutron or heavy-ion irradiation’

Evans's comments are related only loosely to the main body of our paper, which is devoted to the onset of void ordering: his Monte Carlo simulations of this early stage of ordering are in a qualitative agreement with our results. They question, however, the basic mechanisms of damage accumulation revealed by a number of scientists using various techniques over the years. Here we argue that his views are erroneous due to overlooking some essential features of one-dimensional defect transport.     

A hyperbolic reaction–diffusion model for the hantavirus infection

A hyperbolic reaction–diffusion model for the hantavirus infection, generalizing the parabolic set of equations recently derived by Abramson and Kenkre, is proposed within the context of Extended Thermodynamics. The model, as in the parabolic case, captures some of the realistic features of the dynamics of hantavirus in mice population, while it avoids the unphysical features concerning the instantaneous diffusive effects typical of parabolic equations. Traveling wave solutions, related to the spread of the infection in the landscape, are investigated. Both analytical and numerical results obtained herein are discussed and validated from the behavior of the biological system. Copyright © 2007 John Wiley & Sons, Ltd.     

A Quasi Fixed-Point Theorem for a Product of u.s.c. or o.l.s. Correspondences with an Economic Application

In the first place, we present a quasi fixed-point theorem for a correspondence defined on some infinite-dimensional locally convex topological vector space such that some variables have open lower sections and the other ones are upper semicontinuous.In the second place, we propose a direct application of the quasi fixed-point result in an economic model. More precisely, we prove a nonemptiness result of the core of an exchange economy with asymmetric information, a continuum of states and a finite number of commodities.     

Locally one-dimensional difference schemes for the fractional order diffusion equation

Locally-one-dimensional difference schemes for the fractional diffusion equation in multidimensional domains are considered. Stability and convergence of locally one-dimensional schemes for this equation are proved.