The Crystal Structure of N-Benzoyl-N''-(2-hydroxyethyl)-thiourea

Thiourea compounds are excellent agents of bioactive substance. A number of biological activities are associated with substituted thiourea derivatives. A survey of literature reveals that some work has been reported on benzoylthiourea, which has found plenty of applications as a facile and simple ligand in determination of trances of the transition metal and as an available starting material in preparation of a wide variety of metal complexes. In recent years,N-benzoyl-N'-(2-hydroxyethyl)-thiourea has attracted considerable attention as selective reagents for the liquid-liquid extraction and preconcentration of platinum group metals and its antifungle activity.As a part of our works in studying coordination behaviours of N-benzoyl-N'-(2-hydroxyethyl)-thiourea and its bioactivity, in view of these observations and in continuation of our previous works on it, the present work was reported on the crystal structure of N-benzoyl-N'-( 2-hydroxyethyl)-thiourea.The crystals structure in the monoclinic system and space group of P21/c of N-benzoyl-N'-(2-hydroxyethyl)- thiourea (C10H12N2O2S) was determined from single-crystal X-ray diffraction analysis, a = 17.083 (3) A, b = 4.5490 (10) A, c = 14.279 (3)A, a = 90.00°, a = 102.44(3)°, a = 90.00 °, Ⅴ = 1083.6 (4)A3, Z = 4, Dc = 1.375 Mg/m3, i (Mo Ka)= 0.280 mm-1, F(000) =472. The final R and u R are 0.0399 and 0.0881 for 783 observed reflections [Ⅰ＞26(Ⅰ)].Fig. 1 shows the molecular crystal structure of N-benzoyl-N'-(2-hydroxyethyl)thiourea indicating that the carbonyl and thiocarbonyl moieties are pointing in approximate opposite directions. The six atoms in the ring structure hydrogen bonded are almost in one plane. The N(2)-H proton pendant arm extends to the carbonyl oxygen atom, forms hydrogen bond between them.The existence of hydrogen bond in benzoyl-thiourea molecular six-membered ring structure has significant implications on coordination properties, suggest the possibility of intramolecular hydrogen bond controlled coordination behaviors of these potentially bidentate ligands. In the coordination compound reported by Bourne et al.,cis-bis(N-benzoyl-N'-propylthiourea)dichloroplatinum(Ⅱ), the two ligand molecules bind to Pt(Ⅱ)via the sulfur atoms only, the carbonyl oxygen atom being locked into hydrogen bond similar to that in the free ligands.     

Local adsorption sites and bondlength changes in Ni(1 0 0)/H/CO and Ni(1 0 0)/CO

The local adsorption geometry of CO adsorbed in different states on Ni(1 0 0) and on Ni(1 0 0) precovered with atomic hydrogen has been determined by C 1s (and O 1s) scanned-energy mode photoelectron diffraction, using the photoelectron binding energy changes to characterise the different states. The results confirm previous spectroscopic assignments of local atop and bridge sites both with and without coadsorbed hydrogen. The measured Ni–C bondlengths for the Ni(1 0 0)/CO states show an increase of 0.16 ± 0.04 Å in going from atop to bridge sites, while comparison with similar results for Ni(1 1 1)/CO for threefold coordinated adsorption sites show a further lengthening of the bond by 0.05 ± 0.04 Å. These changes in the Ni–CO chemisorption bondlength with bond order (for approximately constant adsorption energy) are consistent with the standard Pauling rules. However, comparison of CO adsorbed in the atop geometry with and without coadsorbed hydrogen shows that the coadsorption increases the Ni–C bondlength by only 0.06 ± 0.04 Å, despite the decrease in adsorption energy of a factor of 2 or more. This result is also reproduced by density functional theory slab calculations. The results of both the experiments and the density functional theory calculations show that CO adsorption onto the Ni(1 0 0)/H surface is accompanied by significant structural modification; the low desorption energy may then be attributed to the energy cost of this restructuring rather than weak local bonding.     

共振原子蒸气中激光脉冲的时空特性

在柱对称条件下，利用耦合的布洛赫－麦克斯韦方程，研究了激光脉冲在原子蒸气介质中的共振传播。考察了脉中在时空中的演化。数值计算结果表明激光脉冲在传播中，由于自感应透明与光波的衍射效应，表现出复杂的相干现象。     

边界衍射波理论公式的准确性数值分析

利用数值分析的方法分析了由边界波理论公式所得的圆形光阑衍射场的光强分布.通过对边界波理论公式所得的光强分布曲线,对几何照明区与阴影区的光强分布曲线与面衍射积分公式所得的光强分布曲线进行比较,分析了边界波理论公式对衍射场描述的准确性.     

Crystal structure and magnetic ordering of RNi Si compounds

The element distributions and the magnetic ordering behaviour of compounds RNi₁₀Si₂ (R = Tb, Dy, Ho, Er, Tm) have been studied by neutron powder diffraction down to temperatures of 1.6 K. The compounds crystallize in an ordered variant of the ThMn₁₂ structure type in the tetragonal space group P4/nmm. An ordered 1:1 distribution of Ni and Si on sites 4d and 4e, respectively, corresponds to a modulation vector [0, 0, 1] with respect to the space group I4/mmm of the ThMn₁₂ structure. TbNi₁₀Si₂ orders antiferromagnetically below T _N = 4.5 K with a magnetic propagation vector of [0, 0, 1/2]. The magnetic Tb moments, 8.97(2) /Tb atom at 1.6 K, are aligned along the c-axis. The Ni sites in TbNi₁₀Si₂ do not carry any ordered magnetic moments. The compounds with R = Dy, Ho, Er, and Tm are paramagnetic down to 1.6 K and 3.0 K, respectively. Received 10 July 2002 / Received in final form 12 September 2002 Published online 29 October 2002     

一种新型的二元光学器件——多位相光束分束器的制作

本文报道了用于多光束分束器的反射式16位相值二元光学器件的制作。该二元光学器件把一束光束分成5×5光束阵列。测量的衍射效率为76.16%,接近理论设计值79.68%。该二元光学器件的有效孔径为10mm×10mm。     

Electrochemical formation and composition analysis of Zn x Cd1-x Se solid solutions

The direct growth of ZnSe–CdSe solid solution onto metallic cathodes by electrodeposition from acidic aqueous sulphate solutions is described. The plating process is studied by simple voltammetry, while the structure and composition of the electrolytic deposits are investigated by X-ray diffraction. The experimental d-spacing values of the as-grown mixed lattice are compared to data from reference Zn _x Cd_1-x Se pellets of standard composition, produced by a sintering method. The findings are supplemented with energy-dispersive X-ray (EDX) elemental analysis. Thereupon, the variation of the mole fraction x in Zn _x Cd_1-x Se, and the solid phase constitution of the electrodeposits are determined and correlated to the electrochemical conditions of growth. The resulting films contain admixtures of CdSe compound and metallic Cd.     

Analysis method of the effect of fabrication errors on a planar waveguide demultiplexer

The impact of fabrication errors on a planar waveguide demultiplexer is analyzed based on an analytical method. The explicit expression of the transfer function taking into account phase and amplitude errors is presented in order to analyze the loss and crosstalk of the demultiplexer caused by fabrication errors. A basic requirement for the demultiplexer with a certain crosstalk criterion can be easily obtained. Using an etched diffraction grating demultiplexer as an example, it is shown that the analytical results have a good agreement with results from a numerical method.     

小孔阵列衍射特性与应用

以单色标量波衍射理论为基础,研究了均匀平面波从不同角度入射小孔阵列的衍射特性。运用单孔衍射理论,同时考虑相邻小孔间衍射光强的相互影响,建立了小孔阵列衍射的理论模型和光强分布的数值积分式,小孔为硬边小孔。利用Matlab对500 nm波长的平面波入射微小方孔阵列衍射图样进行了计算机仿真,得到了不同几何参量下平面波从不同角度入射时的衍射图样的一维和二维光强分布图,并将仿真结果用于微型数字式太阳敏感器的光学系统中的结构参量设计和图像处理中的参量确定。太阳敏感器的成像实验结果表明,小孔阵列衍射光强分布图的仿真结果正确、太阳敏感器光学系统参量设计合理。小孔阵列衍射理论为太阳敏感器的光学系统设计和图像处理提供了可靠的理论基础。     

脉冲压缩光栅光路调节新方法研究

介绍了一种简单而实用的大口径脉冲压缩光栅光路调节方法,有效解决了普通光路调节方法中轴向调节精度不高的问题。首先由全息透镜(光栅)成像公式出发,推导出了该光路调节的基本原理。并从光栅记录系统与光栅衍射波像差的关系,结合初级像差理论推导得出叠栅条纹像差为0.4786λ,大约是光栅衍射波像差(0.25λ)的两倍,利用此关系也可对光栅衍射波像差进行实时监测。从数值模拟结果可知,利用叠栅条纹法调节光路可将光栅波像差减至0.06λ,相应的轴向误差量为0.007 mm,可有效提高了轴向调节精度。