Two new hydrogen bond-supported supramolecular compounds assembly from polyoxovanadate and organoamines

Two novel organic-inorganic hybrid compounds based on organoamines and polyoxovanadates formulated as (H₂dien)₄[H₁₀V₁₈O₄₂(PO₄)](PO₄)·2H₂O (1) (dien=diethylenetriamine) and (Him)₈[HV₁₈O₄₂(PO₄)] (2) (im=imidazole) have been prepared under hydrothermal conditions by using different starting materials, and characterized by elemental analyses, IR, ESR, XPS, TGA and single-crystal X-ray diffraction analyses. Crystal data for compound 1: C₁₆H₇₄N₁₂O₅₂V₁₈P₂, Monoclinic, space group C2/c, a=23.9593(4) Å, b=13.0098(2) Å, c=20.1703(4) Å, β=105.566(3)°, V=6056.6(19) Å³, Z=4; for compound 2, C₂₄H₄₁N₁₆O₄₆V₁₈P, Tetragonal, space group I4/mmm, a=13.5154(8) Å, b=13.5154(8) Å, c=19.1136 Å, β=90°, V=3491.4(3) Å³, Z=2. Compound 1 consists of protonated diens together with polyoxovanadates [H₁₀V₁₈O₄₂(PO₄)]⁵⁻. Compound 2 is composed of protonated ims and polyoxovanadates [HV₁₈O₄₂(PO₄)]⁸⁻. There are hydrogen-bonding interactions between polyoxovanadates and different organoamines in 1 and 2. Polyoxovanadates are linked through H₂dien into a three-dimensional network via hydrogen bonds in 1, while polyoxovanadates are linked by Him into a two-dimensional layer network via hydrogen bonds in 2. The crystal packing patterns of the two compounds reveal various supramolecular frameworks.     

Enantioselective synthesis of beta-aryl-gamma-amino acid derivatives via Cu-catalyzed asymmetric 1,4-reductions of gamma-phthalimido-substituted alpha,beta-unsaturated carboxylic acid esters

A series of chiral beta-aryl-substituted gamma-amino butyric acid derivatives were synthesized in good enantioselectivities via the Cu-catalyzed asymmetric conjugate reduction of gamma-phthalimido-alpha,beta-unsaturated carboxylic acid esters using Cu(OAc)2 x H2O as a catalyst precursor, (S)-BINAP as a ligand, PMHS as a hydride source, and t-BuOH as an additive. The methodology has been applied successfully to the enantioselective synthesis of a chiral pharmaceutical, (R)-baclofen.     

A Theoretical Perspective to Study the Optical Properties of Tetrafluoroborates

In this study, a series of tetrafluoroborates with non-π-conjugated [BF₄] tetrahedra are investigated systematically by first-principles calculations. Theoretical studies demonstrate that tetrafluoroborates with alkali and/or alkaline-earth metals are more favorable for deep-ultraviolet transmission and are comparable to the classical deep-ultraviolet (deep-UV) material, MgF₂. Furthermore, bandgap decrease with the increasing of ionic radii in alkali and/or alkaline-earth metals. Introducing highly polarizable cations with d₁₀-configuration or cations with lone pair electrons into the structure will decrease the bandgaps. The birefringence and second harmonic generation effects are not large enough in tetrafluoroborates because polarizability anisotropy and hyperpolarizability in non-π-conjugated [BF₄] tetrahedra are much smaller than those in π-conjugated groups. However, the second harmonic generation effect for [BF₄] tetrahedra has a higher contribution in comparison with that due to birefringence. To effectively synthesize the borate fluorides or fluorooxoborates in the deep-UV region, raw materials with B−F bonds are preferred.     

SURFACE STRESS EFFECT IN MECHANICS OF NANOSTRUCTURED MATERIALS

This review article summarizes the advances in the surface stress effect in mechanics of nanostructured elements,including nanoparticles,nanowires,nanobeams,and nanofilms,and heterogeneous materials containing nanoscale inhomogeneities.It begins with the fundamental formulations of surface mechanics of solids,including the definition of surface stress as a surface excess quantity,the surface constitutive relations,and the surface equilibrium equations.Then,it depicts some theoretical and experimental studies of the mechanical properties of nanostructured elements,as well as the static and dynamic behaviour of cantilever sensors caused by the surface stress which is influenced by adsorption.Afterwards,the article gives a summary of the analytical elasto-static and dynamic solutions of a single as well as multiple inhomogeneities embedded in a matrix with the interface stress prevailing.The effect of surface elasticity on the diffraction of elastic waves is elucidated.Due to the difficulties in the analytical solution of inhomogeneities of complex shapes and configurations,finite element approaches have been developed for heterogeneous materials with the surface stress.Surface stress and surface energy are inherently related to crack propagation and the stress field in the vicinity of crack tips.The solutions of crack problems taking into account surface stress effects are also included.Predicting the effective elastic and plastic responses of heterogeneous materials while taking into account surface and interface stresses has received much attention.The advances in this topic are inevitably delineated.Mechanics of rough surfaces appears to deserve special attention due to its theoretical and practical implications.Some most recent work is reviewed.Finally,some challenges are pointed out.They include the characterization of surfaces and interfaces of real nanomaterials,experimental measurements and verification of mechanical parameters of complex surfaces,and the effects of the physical and chemical processes on the surface properties,etc.     

ON THE CONVERGENCE OF THE NONNESTED V-CYCLE MULTIGRID METHOD FOR NONSYMMETRIC AND INDEFINITE SECOND-ORDER ELLIPTIC PROBLEMS

This paper provides a proof for the uniform convergence rate （independently of the number of mesh levels） for the nonnested V-cycle multigrid method for nonsymmetric and indefinite second-order elliptic problems.     

A Characterization of Maximally Entangled Two-Qubit States

As already known by Rana’s result, all eigenvalues of any partial-transposed bipartite state fall within the closed interval [−12,1]. In this note, we study a family of bipartite quantum states where the minimal eigenvalues of partial-transposed states are −12. For a two-qubit system, we find that the minimal eigenvalue of its partial-transposed state is −12 if and only if such a two-qubit state is maximally entangled. However this result does not hold in general for a two-qudit system when the dimensions of the underlying space are larger than two.     

2.45GHz ECR 强流等离子体源核心部件设计与实验研究

电子回旋共振(Electron Cyclotron Resonance,ECR)等离子体源能产生高电荷态离子、高流强的单电荷态离子,提供稳定的束流和良好的重复性.核心部件的设计对ECR等离子体源是至关重要的,磁场对等离子体的生成和分布有直接影响,良好的磁场可以提高等离子体的性能和效率.采用有限元分析方法对ECR等离子体源磁场进行分析与设计,得到了满足设计需求与目标的磁场位形,通过高斯计对设计的永磁环轴向磁场精确测量,发现磁场仿真结果与实验结果吻合比较好,只是轴向磁场最大值及对应位置上有点偏差.通过集成实验,研究核心部件对离子源引出束流强度的影响,引出束流稳定且强度达到7 m A.     

Effects of the strain relaxation of an AlGaN barrier layer induced by various cap layers on the transport properties in AlGaN/GaN heterostructures

The strain relaxation of an AlGaN barrier layer may be influenced by a thin cap layer above, and affects the transport properties of AlGaN/GaN heterostructures. Compared with the slight strain relaxation found in AlGaN barrier layer without cap layer, it is found that a thin cap layer can induce considerable changes of strain state in the AlGaN barrier layer. The degree of relaxation of the AlGaN layer significantly influences the transport properties of the two-dimensional electron gas (2DEG) in AlGaN/GaN heterostructures. It is observed that electron mobility decreases with the increasing degree of relaxation of the AlGaN barrier, which is believed to be the main cause of the deterioration of crystalline quality and morphology on the AlGaN/GaN interface. On the other hand, both GaN and AlN cap layers lead to a decrease in 2DEG density. The reduction of 2DEG caused by the GaN cap layer may be attributed to the additional negative polarization charges formed at the interface between GaN and AlGaN, while the reduction of the piezoelectric effect in the AlGaN layer results in the decrease of 2DEG density in the case of AlN cap layer.     

一维 Frenkel-Kontorova(FK)模型原子链的相变研究

文章基于一维Frenkel-Kontorova模型,研究了边界原子的初始速度对原子链运动状态的影响,数值模拟结果表明:当v1时,原子处于"振荡区",当v₁2时,原子处于"混沌区",当v>v₂时,原子处于 "均匀区". 同时我们发现临界速度v₁和v₂随原子数目和垫底势高度的变化而变化. 关键词： Frenkel-Kontorova(FK)模型 相变     

Diode both ends pumped two crystals Tm:YLF laser

In this paper, we report two crystals Tm:YLF laser pumped by a fiber coupled diode laser with total power of 180 W at 792 nm. When the incident power reached up to 117.0 and 37.3 W of the emission wave-length at 1.91 μm was achieved. Through linear fit, the corresponding slope efficiency of 38.5%, optical-to-optical conversion efficiency of 31.9% and the beam quality factor of M ² ∼ 1.1 were obtained, indicating nearly diffraction limited beam propagation. To our best knowledge, this is the best beam quality among the reported paper results under the similar experiments.