(Z)-1[2-(苯基二溴化锡基)乙烯基]-1-环己醇的合成及晶体结构

报道了标题化合物〔C14H18Br2OSn〕的合成及晶体结构。该晶体属于单斜晶系，空间点群为P21/c，晶胞参数a=11.711(2)，b=9．114（2），c=16．864（3）A，β=102.94（1）°，V=1604.55（0）A3，Mr=480．78，Z=4，Dc=1．99g／cm3，u=65．20cm－1，F（000）=919，R=0．050，Rw=0．050．晶体结构由直接法解出。标题化合物分子中的锡原子被配体的2个碳、2个溴和1个氧原子配位，配位原子呈畸变的三角双锥构型，环已基为椅式构象，五员杂环为信封构象。     

乙醇水溶液与二乙氧基甲烷的萃取分离

目前DEM与乙醇水溶液的分离均采用精密精馏法[1],由于DEM的沸点与乙醇水溶液的共沸点接近,很难得到98%以上的DEM,本文以二甘醇为萃取剂,以UNIQUAC方程为模型[6],采用微机模拟逆流萃取分离结果,并进行逆流萃取试验。1　逆流萃取模拟计算以UNIQUAC方程为模型,采用二甘醇为逆流图1　液液萃取工艺流程Fig.1　liquid liquidextractiontechnicalchart萃取剂模拟计算DEM与乙醇水溶液的分离结果,工艺流程如图1所示,塔顶为萃余相③,含高纯度的DEM,塔底为富含乙醇和水的萃取相②,萃取相送精馏塔分离,精馏塔底溶剂循环使用,塔顶可得到…     

三向网架结构内力分析

本文用差分法计算三向网架,适用于各种边界条件和荷载情况,易于推广到不等刚度网架。文中讨论了网架与中厚度板边界条件以及基本差分方程的差别。还对一个工程的计算结果和模型试验作了分析,并比较了两种不同的边界条件。最后介绍了吊装内力分析和探讨了起吊差的影响。     

本征值方法在抗氧化剂定量构效关系研究中的应用

Antioxidants are of great interest because of their involvement in many important biological and industrial processes. It is meaningful to study their structure-antioxidant activity relationship (SAAR) and design novel, efficient and low-toxicity antioxidant. In this paper, Eigen Value Analysis (EVA), a 3-dimensional quantitative structure activity relationship (3-D QSAR) method, was employed to study antioxidant SAAR. Significant relational models were obtained with all the PLS cross-validate qcv^2 values being larger than 0.5, meaning that the models have sound predictive power. Compared with other QSAR methods, EVA possesses several advantages, especially that it does not need alignment. It should be believed that EVA will be an efficient approach to SAAR.     

Ti(OiPr)4/席夫碱配合物催化不对称2-甲氧基丙烯与对硝基苯甲醛的Hetero-ene反应

由新型联苯手性骨架(R)-( )-2-氨基-2′-羟基-6，6′-二甲基-1，1′-联苯la，(R)-( )-2-氨基-2′-羟基-4，4′，6，6′-四甲基-1，1′-联苯1b与不同取代基的水杨醛反应合成了9个新型席夫碱配体2a-2i，化合物的结构用核磁共振以及高分辨质谱进行表征．其中(R)-( )-2-氨基-2′-羟基-6，6′-二甲基-1，1′-联苯和3，5-二溴水杨醛衍生得到的席夫碱配体2g与Ti(O′Pr) 生成的配合物催化不对称2-甲氧基丙烯与对硝基苯甲醛的Hetero-ene反应，在-10℃反应3h时获得了最高为79?的反应产物．     

β-甲基-β-甲氧羰基乙基三氯化锡及其配合物的酯交换反应研究

报道了β-甲基-β-甲氧羰基乙基三氯化锡及其二苄基亚砜、六甲基磷酰胺配合物和醇的酯交换反应, 合成了一系列的β-甲基-β-甲氧羰基乙基三氯化锡及其配合物, 利用元素分析、IR、^1H NMR对其结构进行了表征, 并提出了分子内Lewis酸催化的酯交换反应机理。     

Molecular dynamic simulation of secondary ion emission from an Al sample bombarded with MeV heavy ions

Spluttering yields and kinetic energy distributions (KED) of Al atomic ions ejected from a pure aluminium sample under MeV silicon ion bombardment were simulated with the molecular dynamic method.Since the electronic energy loss Se is much higher than the nuclear energy loss Sn when the incident ion energy is as high as several MeV,the Se effect was also taken into consideration in the simulation.It was found that the simulated sputtering yield fits well with the experimental data and the electronic energy loss has a slight effect at incident ion energies higher than 4MeV.The simulated secondary ion KED spectrum is a little lower in the peak energy and narrower in the peak width than that in the experiment.     

四(对-十八酰氧基)苯基卟啉及其过渡金属配合物的合成及红外光声光谱研究

合成了5,10,15,20-四(对-十八酰氧基)苯基卟啉及其Mn(Ⅲ),Fe(Ⅲ),Co(Ⅱ),Ni(Ⅱ),Cu(Ⅱ)和Zn(Ⅱ)配合物,用元素分析和紫外-可见光谱等方法进行了表征.研究了这7种卟啉化合物在3600～190cm^-1范围内的傅里叶变换红外光声光谱,对主要谱带进行了经验归属.结果表明,3318.0及968.4cm^-1处的吸收谱带分别是四(对-十八酰氧基)苯基卟啉N-H键的伸缩振动和面内弯曲振动,生成配合物后这些谱带消失.243cm^-1附近的吸收谱带是M-N键伸缩振动和卟啉环变形振动的复合振动,321cm^-1附近的吸收谱带是M-Cl键的伸缩振动,金属敏感带出现在1350,1018,995,802,740,632和232cm^-1附近.     

复杂结构水池的爆破拆除及分析

对筒形水池水压爆破拆除的药理计算,布药方式及安全校核等作了详尽介绍和分析,希望对同类工程有所借鉴。     

Effect and optimization of the diminution of the sensitizing intensity in two-center recording

The effect of the diminution of the sensitizing intensity from initially high value on two-center recording is experimentally and theoretically investigated. A linear diminution of the sensitizing intensity is designed,and three different diminution rates are employed for the experimental investigation. The results show that the dynamic range can be improved by reducing the diminution rate of the sensitizing intensity. Compared with that of traditional two-center recording, the recording sensitivity obtained in the experiment is more improved when the maximum dynamic range is achieved. The effect of the diminution of the sensitizing intensity on grating uniformity and the effect of the initial sensitizing intensity on the recording sensitivity are theoretically investigated.