大尺寸单元自组装准晶研究评述

不同于传统的晶体,准晶由非单一的结构单元以一种非重复的方式铺满空间而构成.准晶的形成依赖于短程序和长程序之间微妙的协同,因此准晶常常只在很窄的参数窗口内能得到.近年来,人们利用纳米以至微米级的结构单元,通过溶液中自组装或者在模板上生长,成功地获得了多种大尺寸结构单元的准晶结构.近年的研究还发现,在自然界的矿物中和中世纪伊斯兰建筑装饰上都能找到准晶结构.对准晶结构的多角度、多学科探索,有助于实现准晶的人工设计和生长.     

新型Sr（NO3）2的水热合成及其晶体结构

本文以Sr（NO₃）₂和水为原料,采用水热法合成了一种新型的Sr（NO₃）₂结构。利用X-射线单晶衍射对其结构进行了测定,结果表明:该晶体属于立方晶系,Pa-3空间群,α=b=c=0.77402（7）nm,α=β=γ=90.00°,V=0.46372（7）nm³,Z=4,Dc=3.031g/cm³,F（000）=400,R_gt（F）=0.0287,wR_ref（F²）=0.0888。     

Optimization of the in-line X-ray phase-contrast imaging setup considering edge-contrast enhancement and spatial resolution

Employing the approximation theory based on refraction and the definition of the total point-spread-function of the imaging system, the variation in the edge contrast of simple model samples is discussed with different source-to-sample and sample-to-detector distances, which actually means different spatial resolutions of the imaging system. The experiments were carried out with the Beamline 4W1A imaging setup at the Beijing Synchrotron Radiation Facility for simple model and insect samples. The results show that to obtain clear phase-contrast images of biologic tissues for the X-ray in-line imaging setup, with determined parameters such as the size of the X-ray source, the pixel size of the detector and the fixed source-to-sample distance, there is a range of optimized sample-to-detector distances. The analysis method discussed in this article can be helpful in optimizing the setup of X-ray in-line phase-contrast imaging.     

The beam-based calibration of an X-ray pinhole camera at SSRF

A pinhole camera for imaging X-ray synchrotron radiation from a dipole magnet is now in operation at the Shanghai Synchrotron Radiation Facility (SSRF) storage ring. The electron beam size is derived by unfolding the radiation image and the point spread function (PSF) with deconvolution techniques. The performance of the pinhole is determined by the accuracy of the PSF measurement. This article will focus on a beam-based calibration scheme to measure the PSF system by varying the beam images with different quadrupole settings and fitting them with the corresponding theoretical beam sizes. Applying this method at SSRF, the PSF value of the pinhole is revised from 37 to 44 μm. The deviation in beam size between the theoretical value and the measured value is minimized to 4% after calibration. This optimization allows us to observe the horizontal disturbance due to injection down to as small as 0.5 μm.     

Dose estimation and shielding calculation for X-ray hazard at high intensity laser facilities

An ionizing radiation hazard produced from the interaction between high intensity lasers and solid targets has been observed. Laser-plasma interactions create "hot" electrons, which generate bremsstrahlung X-rays when they interact with ions in the target. However, up to now only limited studies have been conducted on this laser-induced radiological protection issue. In this paper, the physical process and characteristics of the interaction between high intensity lasers and solid targets are analyzed. The parameters of the radiation sources are discussed, including the energy conversion efficiency from laser to hot electrons, hot electron energy spectrum and electron temperature, and the bremsstrahlung X-ray energy spectrum produced by hot electrons. Based on this information, the X-ray dose generated with high-Z targets for laser intensities between 10¹⁴ and 10²⁰ W/cm² is estimated. The shielding effects of common shielding items such as the glass view port, aluminum chamber wall and concrete wall are also studied using the FLUKA Monte Carlo code. This study provides a reference for the dose estimation and the shielding design of high intensity laser facilities.     

N-(1-H-苯并三唑基-3-氧)-(E)-3-甲氧基-巴豆酸酰胺的合成、晶体结构及量子化学计算

以(E)-3-甲氧基-巴豆酸和1-羟基苯并三唑为原料合成了标题化合物,通过~1H NMR等进行了表征,并通过XRD衍射测定了晶体结构,晶体属于单斜晶系,P2_1/c空间群。晶胞参数为a=1.4001(3)nm,b=1.0014(2)nm,c=1.5699(3)nm,α=90°,β=100.13(3)°,γ=90°,D+x=1.429g/cm~3,Z=8,F(000)=976,μ=0.11mm~(-1),最终偏差因子R_1=0.063,ωR_2=0.141。使用Gaussian 03程序,用量子化学中的密度泛函理论(DFT),在B3LYP/6-311G(d,p)基组下计算了该化合物的优化结构参数、电荷分布、分子总能量。算得的键长键角数据和单晶衍射数据相符合。结果表明计算得到的分子几何优化结构可靠,所用的计算方法可靠。     

氧含量对Tl-1212薄膜超导特性的影响

通过在氩气中的低温热处理降低氧含量 ,可使富氧的Tl 12 12薄膜的超导电性明显得到提高 .富氧的Tl 12 12薄膜是在氧气中高温下生成的 ,超导转变温度Tc 一般为 80～ 90K .去氧处理后 ,当氧含量为最佳值时 ,Tc 可以升高到 10 0K ;临界电流密度Jc 也有显著提高 ,77K温度下Jc 最高可以达到 1.8× 10 6A/cm2 .伴随Tc 和Jc 的提高 ,薄膜的晶格常数和表面形貌也有相应变化 .     

K3C60取向相变的同步辐射光电子谱研究

在190K,220K和300K3个不同温度下测量了K3C60单晶薄膜沿[111]方向发射的同步辐射角分辨光电子谱。样品温度为190K时,能够观察到导带有规律的色散,并且带结构与已报道的温度为150K时的结果基本一样。而在220K附近,导带的许多子峰消失,色散不再存在。这两个温度的实验结果与K3C60在200K存在取向相变相符合,并且可在反铁磁Ising模型基础上得到理解。这种模型的定量分析结果还首次对K3C60在200K的相变机理作出了解释,即相变是由低温下的一维无序取向结构转变为200K以上的双取向结构畴与无序分子（约占40%）的混合。室温光电子谱与低温下的结果显著不同,对应于C60分子取向在室温附近的动态无序。     

新型氧钒(IV)席夫碱配合物［VO(dtbsal-met)(phen)和VO(naph-met)(phen)］的合成及其抗肿瘤活性

以L-蛋氨酸（met）, 1,10-邻菲啰啉（phen）和3,5-二叔丁基水杨醛（dbsal）［或2-羟基-1-萘醛（naph）］为原料,经胺醛缩合反应合成了两个新型的氧钒(IV)席夫碱配合物［VO(dtbsal-met)(phen)（1）和VO(naph-met)(phen)（2）］,其结构经IR, HR-ESI-MS,摩尔电导和X-射线单晶衍射表征。1（CCDC：1 429 158）和2（CCDC：1 429 159）分别属单斜晶系和三斜晶系。用MTT法研究了1和2对人肺腺癌细胞（A549）和人源肝癌细胞（HepG2）的体外抗肿瘤活性。结果表明：1和2对A549和HepG2均表现出一定的抑制活性。     

基于二缺位钨多酸化合物的二维相关红外光谱研究

通过水热法合成了一例新颖的稀土钨多酸化合物H₂₆(C₂H₈N₂H₂)K(H₂O)[K(H₂O)Nd₈(H₂O)₂(W₃O₁₂)(SiW₁₀O₃₈)₄]·18H₂O 1。该化合物的不对称单元由两个[SiW₁₀O₃₈]^12-通过一个{Nd₄(H₂O)¹²⁺}结构单元和W₃O₁₂连接而成。化合物1簇阴离子通过K离子连接成一维无限链,再通过氢键连接成二维平面结构。针对该化合物,做了一系列表征,测试了其二维相关红外光谱,并对其作了详细分析,结果说明化合物1簇阴离子振动偶极矩对磁...