二（1,8—萘啶氮氧化物）合硝酸铜（Ⅱ）的晶体结构

1,8-萘啶氮氧化物(简写napyo)是一种配位能力较强的中性配体,关于它与金属离子形成的配合物已有报道.但工作主要集中在配合物的合成及性质的研究,它与金属离子形成的配合物的晶体结构至今未见报道.本工作旨在探讨1,8-萘啶氮氧化物与铜(Ⅱ)的配合物中配体与金属离子的配位情况以及铜(Ⅱ)的配位构型.     

半导体复合TiO2纳米光催化剂

对近年来利用半导体复合TiO2纳米光催化剂进行了介绍。总结了复合TiO2纳米光催化剂的制备、复合物的种类、光催化机理以及影响半导体复合TiO2光催化性能的因素。     

Regioselectivity Study on Propylene Polymerization Catalyzed by Neutral Salicyladiminato Pd（Ⅱ） Model Complex with DFT Method

Many attempts have been made to control the regioselectivity for olefin polymerization by varying the structures of ligands in catalysts. The regioselectivity of propylene polymerization was investigated by replacing a nitrogen atom in the Pd(Ⅱ) diimine catalyst with an oxygen atom from density functional theory method at the B3LYP/LANL2DZ level. The results show that the 1,2-insertion becomes a rival mechanism to the 2,1-insertion when the nitrogen atom is replaced by the oxygen atom leading to an asymmetric environment in the catalyst, and that the steric effect in the asymmetrical catalyst plays an important part in the polymerization. The insertion barrier from 2-O is much higher than that from 2-N. A pyramid transition state was characterized for the catalyst to convert 2-O back to 2-N through internal rotation. The propylene prefers to coordinate at the opposite side of O in the catalyst. This is the driving force for the internal rotation.The results are significant for isotactic and syndiotactic polymerization.     

钴(Ⅱ)与2-[2-(6-甲基苯并噻唑偶氮)]-5-二乙氨基苯甲酸体系盐酸羟胺催化吸附波的研究

Co2 +_2_[2_(6_甲基苯并噻唑偶氮 )]_5_二乙氨基苯甲酸在硼砂 -NH2OH·HCl体系中有一灵敏的极谱波 ,其峰电位Vp 为 -594mV(vs.SCE) ,钴质量浓度在0.7～1000μg/L范围内与峰电流Ip′有良好的线性关系 ,检出限为0.16μg/L。经多种电化学方法证明该波为络合催化吸附波 ,其电极过程为不可逆过程 ,电子转移数为2 ,此外还试验了多种离子对峰电流Ip′的影响。所拟方法已用于维生素B12 中钴的测定 ,结果令人满意。     

Synthesis and characterization of water-soluble palladium(II)-functionalized diphosphine complexes

Water-soluble functionalized bis(phosphine) ligands L (a–h) of the general formula CH₂(CH₂PR₂)₂, where for a: R = (CH₂)₆OH; b–g: R = (CH₂)_nP(O)(OEt)₂, n = 2–6 and n = 8; h: R = (CH₂)₃NH₂ ( Scheme 1), have been prepared photochemically by hydrophosphination of the corresponding 1-alkenes with H₂P(CH₂)₃PH₂. Water-soluble palladium complexes cis-[Pd(L)(OAc)₂] (1–8) were obtained by the reaction of Pd(OAc)₂ with the ligands a–h in a 1:1 mixture of dichloromethane:acetonitrile. The water-soluble phosphine ligands and their palladium complexes were characterized by IR, ¹H and ³¹P NMR. A crystallographic study of complex 1 shows that the Pd(II) ion has a square planar coordination sphere in which the acetate ligands and the diphosphine ligand deviate by less than 0.12 Å from ideal planar.     

四元数矩阵理论中的几个概念间的关系

本文指出并改正文［１］中的错误，给出弱特征多项式［２］与重特征多项式［３］间的显式关系，同时也给出行列式［２］与重行列式［４］间的显式关系，最后讨论了左特征值、右特征值、特征值和特征根之间的关系及最小多项式与弱特征多项式根之间的关系．     

基于复小波包分形理论的爬壁机器人故障检测

通过研究爬壁式机器人的控制和运动特征，提出一种基于复小波包分形理论的故障检测方法．利用复小波包的平移不变性，将爬壁式机器人传感器输出信号分解成独立的频谱，并进行阀值处理和重构，从而有效去除高频噪音并提取故障的特征频率；依据信号分形维数的多尺度不变性，在嵌入维数空间，采用维数最大距离法，确定复小波包域故障信号的关联雏数．仿真实验表明，爬壁式机器人在各种异常工作模式下的故障信号关联维数能比较真实地反映其故障状态空间，同时也验证了故障信号的关联维数低于正常信号的关联维数作为故障发生与否的定量判据的正确性．     

衍射光栅的傅里叶分析方法

本文用衍射理论中的傅里叶分析方法,分析光栅在各种不同情况下的夫琅和费衍射现象中,其衍射屏上的复振幅分布、光强分布及频谱分布的规律。对于衍射光栅的应用具有指导意义。     

Analysis of large experimental datasets in electrochemical impedance spectroscopy

An approach for the analysis of large experimental datasets in electrochemical impedance spectroscopy (EIS) has been developed. The approach uses the idea of successive Bayesian estimation and splits the multidimensional EIS datasets into parts with reduced dimensionality. Afterwards, estimation of the parameters of the EIS-models is performed successively, from one part to another, using complex nonlinear least squares (CNLS) method. The results obtained on the previous step are used as a priori values (in the Bayesian form) for the analysis of the next part. To provide high stability of the sequential CNLS minimisation procedure, a new hybrid algorithm has been developed. This algorithm fits the datasets of reduced dimensionality to the selected EIS models, provides high stability of the fitting and allows semi-automatic data analysis on a reasonable timescale. The hybrid algorithm consists of two stages in which different zero-order optimisation strategies are used, reducing both the computational time and the probability to overlook the global optimum. The performance of the developed approach has been evaluated using (i) simulated large EIS dataset which represents a possible output of a scanning electrochemical impedance microscopy experiments, and (ii) experimental dataset, where EIS spectra were acquired as a function of the electrode potential and time. The developed data analysis strategy showed promise and can be further extended to other electroanalytical EIS applications which require multidimensional data analysis.