锌银双金属硫氰酸根络合物ZnAg_2(SCN)_4的晶体结构

本文报导了双金属硫氰酸根络合物ZnAg_2(SCN)_4的晶体结构。晶体属单斜晶系,空间群为Cc,晶胞参数:a=19.720(6),b=7.712(2),c=7.813(1);β=96。50°(2)°。每个晶胞含4个ZnAg_2(SCN)_(40)在CAD-4四圆衍射仪上用MoKα射线收集了I≥2σ(I)的971个独立衍射数据。晶体结构采用重原子法解出,用三维付立叶合成及全矩阵最小二乘法修正,偏离因子R为0.062。 在这一个结构冲,硫氰酸根作为三配位“桥”基,以其N端和Zn络合,以其S端同时与两个Ag络合,通过共价配键将整个结构联成三维的无穷骨架。Zn和Ag原子的邻近原子呈畸变的四面体配位构型。     

CRYSTAL STRUCTURE OF BIS-ETHYLENEDIAMINE TRITHIOCYANATE OF COPPER(Ⅱ) AND SILVER(Ⅰ) Cu(en)_2Ag(SCN)_3

Cu(en)_2Ag(SCN)_3 crystallizes in space group P2_12_12_1 with its cell parameters, a=7.126(2), b=12.587(5), c=17.585(5). There are four formula units per unit cell(ρ_obs.=1.90g/cm~3, ρ_(calc.=1.96g/cm~3). Diffraction data are collected on a CAD4 four-circle diffractometer using Mo-Ka radiation. The structure is determiued by heavy atom method, then refined by leastsquare method to a final R=0.036. It is shown that in the crystal the coordination of Cu atoms is square pyramidal with four N atoms of en groups in the square plane and oue Natom of thiocyanate group in the apical position. The Ag atom is coordinated tetrahedrally by four S atoms of thiocyanate groups, one of which links up two AgS_4 together, thus forming the infinite AgS_4 tetrahedron chains along a axis.     

STUDIES ON THE EXCIMER FLUORESCENCE AND THE STERIC TACTICITY OF POLYPHENYLSILSESQUIOXANES

The steric tacticity of polyphenylsilsesquioxanes (PPS) was studied by exeimer fluorescence spectroscopy. It was found that the fluorescence of PPS come mainly from its intramolecular excimers, The experimental results indicated that the steric-structure of PPS is most probably cisisotactic rather than the cis-syndiotactic as suggested in the literature. With the increase in defect content monomer fluorescence intensity increases because of the enhanced mobility of phenyl groups. Molecular weights and molecular weight distributions do not affect the fluorescence spectra of PPS.     

在盐的水溶液中非电解质活度系数的研究(Ⅺ)——正丙酸和正丁酸在苯和盐水溶液间的分配

在25℃下分别测定正丙酸和正丁酸在苯相和纯水相中的分配比,以及在苯相和盐水溶液中的分配比,从而求出酸的活度系数。所用的盐有氯化锂、氯化钠、氯化钾、氯化锶、氯化钡、溴化锂、溴化钠、溴化钾等八种。对弱酸算出了未解离部分的活度系数。在所用盐浓度(0-1mol/l)范围内,作lgf_u-C_s图,都呈直线。比较直线的斜率,对正丙酸为:SrCl₂>BaCl₂>LiCl≈NaCl>LiBr≈NaBr>KCl>KBr。对正了酸为:SrCl₂>BaCl₂>NaCl≈LiC₁>NaBr≈KCl≈LiBr>KBr.指出小离子盐对小脂肪酸盐效应主要是静电力作用。     

三硝基苯-对位取代苯酚负离子荷移复合物从头算研究

运用G94W量子化学程序,在HF/3-21G基组水平上对三硝基苯-对位取代苯酚(取代基:CH~3O-,CH~3-,Cl-)负离子的电荷转移复合物进行从头计算。把电荷转移复合物看成一个超分子,研究该系列复合物的稳定性、电荷转移及几何构型等规律。计算结果表明,苯酚负离子供电中心O沿一倾角指向三硝基苯中的任意相邻两个硝基之间的C位置上,复合物的稳定性按对位取代苯酚取代基CH~3O-,CH~3-,Cl-的次序减小,与实验规律相一致。计算结果还表明,形成该系列复合物具有明显的电荷转移,其稳定性与电荷转移量有关等。     

Crystal Structures of Tris-dipivaloylmetanates of Tm~(3+) and Yb~(3+)

A series of Ln(Ⅲ) dipivaloylmethanates Ln(dpm)3 has been obtained. The crystal structures of Tm(dpm)3(1) and Yb(dpm)3(2) were determined by X-ray analysis at 200(2) K(Pmn21, Z = 2; a = 17.7509(8), b = 10.5805(4), с = 9.8380(4) ?, V = 1847.7(1) ?3 for(1) and a = 17.7272(6), b = 10.5882(3), с = 9.8440(3) ?, V = 1847.7(1) ?3 for(2)). These data complete the structural evaluation of lanthanoid tris-dipivaloylmethanates. Compounds 1 and 2 are isostructural to the complexes Ln(dpm)3(Ln = Er and Lu). It is demonstrated that the volatility of trisdipivaloylmethanates of rare earth elements increases from the complex of Lu to that of La.     

The Saint-Venant problem of plane bar under an axial force

I.PrefaceAsweknow,theSaint-Venanttheoryisawell-knownanduniversallyacceptedtheory.Butasoneofthegeneraltheoriesofelasticmechanics,itisnotprovedperfectely,althoughitistestedbyexperiments.Infact,onlyforthesimplestproblemofelasticity,itisnoteasytofindanalytics…     

天然气稳态运行优化的混合整数模型及其算法

天然气稳态运行优化问题的难点在于网络结构复杂、规模大、目标函数及约束高度非线性.针对其混合整数非线性规划模型,基于网络约简和线性化技术,建立了线性近似模型,并提出一种新的求解算法.将新算法用于优化我国西部天然气管网系统,结果表明所提算法是有效的.     

一道课本例题解法的背景分析及推广

课本例题是重要的教学资源,充分利用这一资源,对减轻学生负担、培养学生提出问题与解决问题的能力,是一条有效的途径.人教版A版选修4—4《坐标系与参数方程》第37页例2就是这样一道好题,笔者力寻其简解的依据,并把问题在知识的最近发展区内作进一步的推广,解决了与原问题相关的一类新问题,使例题效益达到最大化.题目经过点M(2,1)作直线l,交椭圆x216+y24=1于A,B两点.如果点M恰好为线段AB的     

基于博弈论的融资租赁保证金确定方法研究

针对融资租赁中租金偿还违约风险的防范问题,研究了如何合理设置租赁保证金来防范违约风险.运用博弈理论建立了租金偿还的动态博弈模型,采用逆向归纳法求解该博弈模型并推导出了预防性保证金确定方法及其适用条件,通过边界条件的改变继而推导出了补偿性保证金确定方法及其适用条件.算例分析表明,运用两种方法来计算租赁保证金时,只需已知租赁项目各期租金和租赁资产的价值而无需知道租赁项目的各期收益,仅以出租人预期租赁项目在各期的收益与租金之间的大小作为判据来选择保证金确定方法.两种保证金确定方法具有较高的实用性和可操作性,是出租人合理地确定租赁保证金的有效方法.