SYNTHESIS AND-CHARACTERIZATION OF THE SOLUBLE, HIGH MOLECULAR WEIGHT AND LADDERLIKE POLYHYDROSILSESQUIOXANE AND ITS COPOLYMERS

The high molecular ladderlike polyhydrosilsesquioxane (LPHSQ) and its copolymer, ladderlike random copolymethylhydrosilsesquioxane (LR-PMHSQ) and ladderlike block copolymethylsilsesqui-oxane(LB-PMHSQ) have been synthesized by a preaminolysis reaction of the corresponding trichlorosilane with 1 ,4-phenylene diamine(PDA) then by hydrolysis and polycondensation reactions The thermographs of these polymers measured by DSC method indicate that these macromolecular backbones are very rigid as seen from the DSC curves which are almost horizontal from room temperature until 350 ~C without noticeable glass transition. The content of Si—H group in the polymers can be regulated by changing the composition of the two copolymerized monomers. So the ladderlike polymers including its copolymers can be the useful precursors for the functional polymers, especially such as fishbone-like liquid crystalline polymers.     

TixNy团簇结构的密度泛函研究

采用杂化密度泛函方法(B3LYP)和有效核势基组预测了Ti_xN_y (x≤3, y≤2)团簇的结构及稳定性, 并分析了可能存在构型的电子结构. 结果表明Ti₂N中体系的自旋多重度由Ti原子决定. Ti₃N中随着N的配位数增加, N的负电荷增加, 平均每个Ti向N提供约0.3个电子. 从Ti₂N₂可能稳定构型分析, 成键数目越多, 能量上越有利, 且Ti—N键的数目的增加, 将削弱N—N间的成键.     

Valence bond theoretical study for chemical reactivity

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纳米尺寸团簇NinZrn(n=3～5)的几何结构与成键规律研究

根据化学键理论与拓扑原理，设计了团簇NinZrn(n=3-5)的可能几何构型，并用从头算方法进行构型优化，结果表明，由NiZr组成的团簇原子间的Zr-Zr和Zr-Ni键明显较强，而Ni-Ni的成键较弱，并发与NinZrn(n=3-5)团簇电子性质与有机烯烃分子等瓣相似，原子之间的成键按照强弱相间的规则分布。     

SYNTHESES OF THE SOLUBLE,HIGH MOLECULAR WEIGHT AND LADDERLIKE POLYPH ENYLSILSESQUIOXAN E AND COPOLYMETHYLPHENYLSILSESQUIOXANES BY PREAMMINOLYSIS METHOD

Soluble, high molecular weight (MW) and ladderlike polyphenylsilsesquioxane (LPPSQ) and its copolymers, ladderlike random and block copolymethyiphenylsilsesquioxanes(LR-PMPSQ and LB-PMPSQ)have been prepared by preamminolysis, hydrolysis and polycondensation reactions. The preparation method can be carried out easily at the temperature below 95℃with high yield of 95 %, instead of the conventional way by using high-boiling solvent and any reaction activator or by precipitation with methanol. Three kinds of ladderlike polymers have been characterized. The MW's of the polymers reached to 10~6 without noticeable gelling. The scheme for synthetic route has been proposed.     

低信噪比下脉冲重复周期渐变波形的相推测速实现

相推测速技术可以实现相位量级的测量精度,但是其存在准确提取相位和解相位模糊两大难点.本文提出了针对低信噪比条件下脉冲重复周期渐变波形的相推测速实现方法.首先,建立了考虑脉冲重复周期渐变波形的回波模型;然后介绍了基于包络测速解相位模糊的相推测速模型;进而为了提高相推测速在低信噪比条件下的适用性,分别提出了回波相位提取值修...     

基于图像先验知识的快速EZW算法研究

文章研究了一种适合在高速DSP上运行的快速零树编码算法.通过分析传统EZW的数据压缩流程以及DSP的处理机制,提出了一种新的压缩编码算法.本算法从大量图像小波变换系数的统计特性中提取先验知识,用以指导压缩编码,使之在DSP上运行的速度得到了极大的提高,并已在某高输入数据率的图像压缩项目上使用,效果良好.     

锰团簇Mn5和Mn6结构与磁性的分析

用密度泛函方法对过渡金属Mn₅, Mn₆的各种可能构型, 在PW91/ZoraTZ2P水平上进行了理论研究. 计算结果表明: 构型是自旋变化、磁性的敏感因素, Mn₅最稳定构型为弱铁磁性的三角双锥体(磁矩为3, D_3h). Mn₆的最稳定构型为铁磁性的畸变八面体(磁矩为16, C_4v). 各种异构体虽然多重度不同, 但每个原子的自旋极化度均在3以上. 构型稳定与否取决于原子间的交换耦合作用, 而原子间的这种作用又与自旋极化度的方向、大小息息相关.     

碎片法合成金属原子簇:Isolobal Analogy的应用和推广

本文讨论了等瓣相似原理的推广并应用于混合金属原子簇化合物的合成。特别是把等瓣相似概念作进一步地推广, 即满足于9n-l规则的金属簇合物等瓣相似于满足4n-1规则的碳烷, 因此等瓣相似概念以及它的推广在碎片法合成金属簇合物的研究中是十分有用的。