Study on the covalence of Cu and chemical bonding in an inorganic fullerene-like molecule, [CuCl]20[Cp*FeP5]12 [Cu-(CH3CN)+2Cl-]5, by a density functional approach

The electronic structure and chemical bonding in a recently synthesized inorganic fullerene-like molecule, [CuCl]₂₀[Cp*FeP₅]₁₂[Cu-(CH₃CN) ⁺ ₂Cl⁻]₅ has been studied by a density functional approach. Geometrical optimization of the three basic structural units of the molecule is performed with Amsterdam Density Functional Program. The results are in agreement with the experiment. Localized MO’s obtained by Boys-Foster method give a clear picture of the chemical bonding in this molecule. The reason why CuCl can react with Cp*FeP₅ in solvent CH₃CN to form the fullerene-like molecule is explained in terms of the soft-hard Lewis acid base theory and a new concept of covalence.     

Baker＇s Yeast Mediated Reduction of Optically Active Diketone

Baker‘s yeast mediated reduction of optically active diketone is described. The two keto groups are efficiently differentiated and the ee value of the recovered material is considerably raised. It affords highly optically active key intermediates efficiently for the synthesis of natural polyhydroxylated agarofuran products.     

Drift transforms and Green function estimates for discontinuous processes

In this paper, we consider Girsanov transforms of pure jump type for discontinuous Markov processes. We show that, under some quite natural conditions, the Green functions of the Girsanov transformed process are comparable to those of the original process. As an application of the general results, the drift transform of symmetric stable processes is studied in detail. In particular, we show that the relativistic α-stable process in a bounded C^1,1-smooth open set D can be obtained from symmetric α-stable process in D through a combination of a pure jump Girsanov transform and a Feynman-Kac transform. From this, we deduce that the Green functions for these two processes in D are comparable.     

硅基两维光子晶体的制备和光子带隙特性

利用反应离子束刻蚀设备制备了硅基的两维空气柱光子晶体，并用红外显微镜测试了样品的 反射谱. 理论上用时域有限差分(FDTD)方法计算了样品的光子带隙，从测试结果看光子带隙 和理论计算的光子带隙符合得很好.  关键词： 光子晶体 光子带隙 反射谱 时域有限差方法     

辐射加热金X光再发射时间测量

利用星光Ⅱ三倍频激光打双盘靶，研究了辐射加热材料的Ｘ光发射时间。激光脉冲能量４０～６０Ｊ、脉冲宽度６００～７００ｐｓ。通过两台时间关联的亚千Ｘ光能谱仪分别监测双盘靶初、次级发射Ｘ光谱，给出了辐射加热次级Ｘ光再发射时间。     

基于ZBLANⅩⅣPr,Yb频率上转换发光的三维立体显示

本文对利用ZBLANⅩⅣPr,Yb频率上转换发光的三维立体显示做了研究,探讨了其中的一些物理问题.在实验中,我们利用Yb³⁺离子敏化的方法提高Pr³⁺的上转换发光效率;通过降低能引起单频上转换发光的激光强度来提高寻址点和非寻址点在显示过程中的对比度.     

Fluorination of diamond — C4F9I and CF3I photochemistry on diamond (100)

The radiation-induced decomposition of C₄F₉I and CF₃I overlayers at 119 K on diamond (100) surfaces has been shown to be an efficient route to fluorination of the diamond surface. X-ray photoelectron spectroscopy has been used for photoactivation as well as for studying the photodecomposition of the fluoroalkyl iodide molecules, the attachment of the photofragments to the diamond surface, and the thermal decomposition of the fluoroalkyl ligands. Measured chemical shifts agree well with ab initio calculations of both C 1s and F 1s binding energies. It is found that chemisorbed CF₃ groups on diamond (100) decompose by 300 K whereas C₄F₉ groups decompose over the range 300 to 700 K and this reactivity difference is rationalized on steric grounds. Both of these thermal decomposition processes produce surface C---F bonds on the diamond. The surface C---F species thermally decompose over a wide temperature range extending up to 1500 K. Hydrogen passivation of the diamond surface is ineffective in preventing free radical attack from the photodissociated products of the fluoroalkyl iodides; I atoms produced photolytically abstract H from surface C---H bonds to yield hydrogen iodide at 119 K allowing diamond fluorination. The attachment of chemisorbed F species to the diamond (100) surface causes band bending as the surface states are occupied as a result of chemisorption. This results in a shift to higher binding energy of the diamond-related C 1s levels present in the surface and subsurface regions which are sampled by XPS on the diamond. The use of photoactivation of fluoroalkyl iodides for the fluorination of diamond surfaces provides a convenient route compared to other methods involving the action of atomic F, molecular F₂, XeF₂ and F-containing plasmas.     

鄂尔多斯盆地腹部下古生界天然气赋存系统研究

运用深盆气圈闭的基本原理，综合分析了鄂尔多斯盆地下古生界天然气赋存的基本地质因素，论证并提出了盆地腹部下古生界深盆气圈闭的新认识，并依据盆地地质构造特征将其进一步划分为：西部前渊拗陷型和中东部复式向斜型两大深盆气赋存系统．