INVESTIGATIONS ON THE CRYSTAL STRUCTURE OF 2-(m-CYANOPHENYL)-5-CYANOBENZOTHIAZOLE AND CONFORMATIONS OF ITS ISOMERS

The crystal structure of 2-(m-cyanophenyl)-5-cyanobenzothiazole has been determined by X-ray single crystal diffraction method and its conformational analysis and its two isomers have been carried out by employing the PCILO method. The crystal of title compound belongs to the monoclinic system, space group P2_1/c, a=23.793(7), b=3.852(1), c=27.004(11), β=98.40°(3), Z=8, D_(calc). =1.42g/cm~3, F(000)=1072, the final β=0.048. The crystals of this molecule and its two isomers belong to a same space group, but the packing schemes of the molecules in the unit cell, the separations and the mutual orientation of-C≡N bonds are not same. From the detailed analysis and comparison of their packing schemes in crystal, it can be considered that they may be possible to polymerize to different extent in the solid state by appropriate energy stimulation.     

未来模式：计算机集成制造

制造业是为社会创造财富和为科学技术发展提供先进手段的基础性产业。它直接反映一个国家的生产力水平和经济发展水平,直接关系着传统工业的改造、新兴工业的发展以及科学技术的进步。 70年代中期以来,高技术在制造业中得到了广泛的应用,使传统模式的制造业向自动化、集成化和智能化的方向发展。在现阶段,计算机集成制造(CIM)是这种趋势的集中表现,发达国家都以在本世纪末或下世纪初,实现计算机集成制造,即实现机器制     

2-苯基苯并噻唑的~(13)C NMR取代基效应研究

本文通过测定和解析14个2-苯基苯并噻唑化合物的~(13)C NMR谱,研究了芳杂环上的取代基效应和不同取代基对分子内核电荷密度分布的影响,分析了影响~nJ~(13)C-~1H的结构因素。应用对照分析法研究了苯并噻唑取代基对苯环的微扰作用,得到了苯并噻唑取代基的诱导化学位移值,并作了芳环~(13)C化学位移的经验计算,计算值和实验值相符。用EHMO方法(广义Hückel分子轨道法)对化合物2,3,9作了理论计算,将计算所得的碳原子的总电荷密度与~(13)C化学位移作了回归分析,相关因子为0.96。     

AROMATIC AND HETEROCYCLIC NITRILES AND THEIR POLYMERS ⅩⅥ. THE POLYMERIZATION KINETICS OF 4, 4′-BIPHENYLDICARBONITRILE CATALYZED BY LEWIS ACID-METAL SYSTEM

The polymerization kinetics of 4, 4′-biphenyldicarbonitrile using cuprous chloride-zinc system as catatyst was investigated. the concentration of unreacted cyano group was measured by infrared spectroscopic analysis using potassium ferricyanide as the internal reference. It was found that the polymerization rate is directly proportional to the concentrations ofcyano group, cuprous chloride and zinc, and the activation energy of the polymerization is as Tow as 18.4 KJ/mol. In addition, the other kinetics parameters were obtained and discussed.     

关于原矽酸乙酯的制备

现行文献中所载原矽酸乙酯的制备法,其产率均不能使人满意。我们找出产率不高的主要原因是过量的醇和作用所发生的氯化氢生成了水,水引起了原矽酸乙酯的水解缩聚作用。这已经由实验证明。作用副产物亦经纯化鉴定,主要的是1,3-六乙氧基二矽氧烷和1,3,5-八乙氧基三矽氧烷。改进的制备法是将等作用量的四氯化矽和无水乙醇(克分子数比为1:4)同时滴入冷却的、受搅拌的原矽酸乙酯(作为稀释剂)中,经搅拌半小时,即徐徐加热以除去氯化氢,然后蒸馏。这样,原矽酸乙酯的产率达95%。这个方法并适用于连续操作。     

杯芳烃的配位化学研究 Ⅰ.对叔丁基杯芳烃对铜的萃取

新一代大环化合物杯芳烃(calixarcne)的研究已引起广泛的兴趣,它是由酚环和亚甲基组成的环多聚体,其结构呈杯状.杯底OH及杯盖R基可被各种基团取代,在其环形结构中具有适当体积的洞穴,在此空穴中能容纳客体而形成主客体配合物,可模拟酶催化的初始过程,在催化及分析分离等方面也有广泛的应用.但杯芳烃的配位化学研究很少,本文首先合成了对叔丁基杯[4]芳烃、对叔丁基杯[6]芳烃及对叔了基杯[8]芳烃(分别简称杯[4]、杯[6]及杯[8]),研究它们对铜的萃取,并探讨了萃取机理.     

AROMATIC AND HETEROCYCLIC DINITRILES AND THEIR POLYMERS. Ⅺ. STUDY ON THE POLYMERIZATION OF AROMATIC AND HETEROCYCLIC DINITRILES BY INFRARED SPECTROSCOPY*

The polymerization rates of fourteen aromatic and heterocyclic dinitriles were measured by infraredspectroscopy and compared with that of 4, 4′-biphenyldicarbonitrile. The rate is greatly enhancedwhen an electron withdrawing group is substituted at the para position of cyano group in aromaticdinitriles. The polymerization rates of heterocyclic dinitriles wer discussed in terms of π-lectrondensity of the heterocyclic rings.     

“PMR”聚酰亚胺的封端剂

研究了十四种不饱和羧酸酐的 N-苯基二酰亚胺的热聚合反应,以此作为“PMR”聚酰亚胺封端剂的选择。对结构与热聚合活性的关系进行了讨论。对其中五种热聚合速度较快的化合物,研究了它们的酸酯与苯胺在无水乙醇浓溶液中的反应动力学,求得反应速度常数、活化能和半衰期。     

激光扫描三角法大型曲面测量中影响参数分析

介绍了基于光学三角理论的激光扫描大型曲面测量原理,详细分析了影响其测量精度的几个主要因素,即被测物体表面的光学性能、物面倾斜、光学系统畸变及散斑等对测量精度的影响,针对大范围测量时,光斑图像时占用多个像素及诸多因素造成的光斑图像强度分布不均,以致于很难读取真正光斑同何中心的问题,文中提出了基于Ｈｏｕｇｈ变换的光斑中心提取方法,实验表明了该方法对提高大型曲面测量精度的有效性。