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.     

Study on the covalence of Cu and chemical bonding in an inorganic fullerene-like molecule, [CuCl]_(20)[Cp~*FeP_5]_(12)[Cu-(CH_3CN)_2~+Cl~-]_5, by a density functional approach

The titled inorganic fullerene-like molecule (hereafter abbreviated as IFM) was recently synthe-sized by Bai et al.[1], which attracts a lot of interests from inorganic and organometallic chemists, and questions are raised for this smart molecule: (ⅰ) Why CuCl can react with Cp*FeP5 in solvent CH3CN to form IFM? (ⅱ) What is the nature of chemical bond-ing? (ⅲ) What is the covalence of Cu in this mole-cule? In this paper we intend to answer these questions in terms of the soft-hard …     

Pseudorandom properties of prime factors

In this paper we study some pseudo-random properties related to the prime factors of integers. We prove some results concerning the well distribution of the greatest prime factor modulo 4, and give some computational insight on the correlations, which seem to be beyond reach of proof.     

全景图像几何畸变校正的算法研究及其软件实现

对于360°视场的全景图像,本文提出了分别对其进行切向和径向畸变校正的处理算法,并用插值处理提高处理精度。达到了将全景图像恢复为常规视场平面像的目的。它是进一步图像分析的前期工作。     

Monoesterification of styrene–maleic anhydride copolymers with alcohols in ethyl benzene: Catalysis and kinetics

A kinetic investigation on the monoesterification reaction of the maleic anhydride residue (MA) in styrene-maleic anhydride copolymers with aliphatic alcohols was carried out in ethyl benzene solution. By comparison to classic catalysts such as tributylamine (TBA) and pyridine, 4-dimethylaminopyridine (4DMAP) is by far the most effective catalyst for this reaction. While both general base and nucleophilic mechanisms contribute to the reaction catalyzed by TBA or pyridine, a nucleophilic mechanism prevails with 4DMAP. This reaction is reversible, and its chemical equilibrium constant decreases significantly with increasing temperature. Both kinetic and thermodynamic results showed that in the presence of 4DMAP, the forward and reverse reactions are second and first order, respectively. The existence of side reactions, reactivity of two styrene-maleic anhydride copolymers of different MA contents as well as two aliphatic alcohols of different lengths are also addressed. © 1993 John Wiley & Sons, Inc.     

起爆药爆轰场和燃烧场的干涉法显示及其图像处理

本文介绍了利用脉冲YAG激光引爆起爆药产生爆轰流场或燃烧温度场,用时间序列干涉法首次获得了爆轰流场和起始燃烧过程的时间序列干涉图的实验结果.在此基础上,采用条纹曲线检测法和双三次多结点插值样条函数从干涉图上提取爆轰场冲击波的波阵面,并通过序列波阵面配准算法,定量地计算了冲击波的传播速度.同时,还定量计算了燃烧场温度随时间变化的分布.     

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。     

Chemical synthesis and electric properties of the conducting copolymer of aniline and o‐aminophenol

A copolymer, poly(aniline‐co‐o‐aminophenol), was prepared chemically by using ammonium peroxydisulfate as an oxidant. The monomer concentration ratio of o‐aminophenol to aniline strongly influences the copolymerization rate and properties of the copolymer. The optimum composition of a mixture for the chemical copolymerization consisted of 0.3 M aniline, 0.021 M o‐aminophenol, 0.42 M ammonium peroxydisulfate, and 2 M H₂SO₄. The result of cyclic voltammograms in a potential region of ?0.20 to 0.80 V (vs.SCE) indicates that the electrochemical activity of the copolymer prepared under the optimum condition is similar to that of polyaniline in more acid solutions. However, the copolymer still holds the good electrochemical activity until pH 11.0. Therefore, the pH dependence of the electrochemical property of the copolymer is improved, compared with poly(aniline‐co‐o‐aminophenol) prepared electrochemically, and is much better than that of polyaniline. The spectra of IR and ¹H NMR confirm that o‐aminophenol units are included in the copolymer chain, which play a key role in extending the usable pH region of the copolymer. The visible spectra of the copolymers show that a high concentration ratio of o‐aminophenol to aniline in a mixture inhibits the chain growth. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 5573–5582, 2007     

基于CCD采集的Mach-Zehnder干涉条纹图的处理算法

Mach-Zehnder干涉仪适用于研究气体密度迅速变化的状态。由于气体折射率的变化与其密度的变化成正比,而折射率的变化将使通过气体的光线有不同的光程,因此可通过干涉臂变化对干涉条纹图像效果的影响得到气体密度。实测中,采用图像采集卡和CCD来接收Mach-Zehnder干涉仪产生的条纹图像,再通过计算机对条纹图像的条纹间距进行处理,从而得到气体密度的变化状态。从光干涉理论出发,对Mach-Zehnder干涉条纹图像特征进行了分析,建立了Mach-Zehnder干涉条纹的数学模型,并根据此模型设计了处理Mach-Zehnder干涉条纹图像的算法。算法包括图像的预处理(即图像的噪声提取)、图像的二值化及图像的细化。     

BRD96N光调制吸收增强现象的实验研究

通过光谱响应特性实验和记录／读出图像实验，研究了基因变异型细菌视紫红质（BR_D96N）分子膜对单色光的光调制特性.发现BR_D96N分子膜在550nm—600nm范围内对调制光有吸收增强的现象，且对此范围内不同波长的单色光其调制程度有差异.利用曲线拟和方法发现550nm—600nm吸收增强的变化过程分为快过程和慢过程，其对应的时间常数分别为30s和5min.利用强度调制器的吸收强度与图像灰度之间的关系，分析了560nm—600nm范围内出现图像反转的实验现象. 关键词： 细菌视紫红质D96N分子膜 光谱响应 吸收增强现象 图像反转现象