呋喃甲酰基吡唑啉酮缩邻苯二胺铀(Ⅵ)钍(Ⅳ)配合物的合成、表征及生物活性

分别合成了U(Ⅵ)和Th(Ⅳ)与双席夫碱N，N’-双[(1-苯基-3-甲基-5-氧-4吡唑啉基α-呋喃次甲基]邻苯二亚胺(HPMα FP)2pen形成的新配合物．通过元素分析、红外光谱、紫外光谱、核磁共振谱及摩尔电导等方法测试，确定其组成为：[UO2(PMαFP)2pen]和[Th(PMαFP)2pen(NO3)2]．对新配合物的结构与性质进行了表征．抗菌实验表明，配合物具有一定的生物活性．     

顺式-二(乙二胺)二硝基合钴(Ⅲ)苹果酸盐的晶体结构及手性识别

合成了标题化合物，并用X-射线衍射法确定了该分子的晶体结构。化合物Δ（λλ），Λ（δδ）－cis－[Co（en）2（NO2）2]2d，l-C4H4O5，Co2C12N12O13H22，Mr=657．94．晶体属单斜晶系，空间群为P21/c，晶胞参数：a=13．969（4），b=6.440（1），c＝14．408（4）A，β=94.37（1）°，V=1292．3A3，Z=2，Dc=1．69g／cm3，μ=105.833cm－1，F（000）=668.最终偏离因子R=0.066，Rw=0．085。结构分析表明晶体存在无序现象，其阴离子C4H4O52-有两种排列方式。R-构型和S-构型的几率各为50％，手性识别是通过Δ构型的阳离子与阴离子R-构型C原子上羟基氧形成氢键相互作用；Λ构型的阳离子与阴离子S-构型C原子上羟基氧形成氢键相互作用而实现的。     

八配位钇(Ⅲ)-反式-1,2-环己二胺四乙酸配合物NH4[Y(trans-CYDTA)(H2O)2]·4.5H2O的合成及分子结构

In this paper, the molecular and crystal structures of the NH₄[Y(trans CYDTA)(H₂O)₂]·4.5 H₂O(trans-CYDTA=trans 1,2-cyclohexanediaminetetraacetic acid) are reported. The crystal data are as follows: Triclinic system, P1space group,a=0.8599(6)nm,b=1.0021(7)nm,c=1.4370(9)nm,α =88.095(13)°,β =75.559(1)°,γ =88.344(12)°,V=1.1981(14)nm³,Z=2, M=708.68,D_c=1.570g· cm^-3, μ =2.506mm^-1 and F(000)=590. The final R₁ and wR₂ are 0.0571 and 0.1350 for 4205 [I >2.0σ (I)] unique reflections and 0.1007 and 0.1615 for all 4981 reflections, respectively. In the title complex, the anion [Y(trans-CYDTA)(H₂O)₂]^- has an eight coordination structure with distorted square antiprism. The trans CYDTA which acts as a hexadentate ligand with four Oatoms and two Natoms and two H₂O molecules directly coordinate to central metal Y(Ⅲ) ion. It can be known that the Y(Ⅲ) ion can form an eight coordinate compound with aminopolycarboxylic acid ligands in addition nine coordination structure.     

表面增强拉曼光谱研究吸附态的变化

测量了吡啶分子在电化学处理的银表面和亚甲基蓝分子在硝酸刻蚀银表面的表面增强拉曼光谱（ＳＥＲＳ）．对ＳＥＲＳ谱线的分析结果表明，吡啶分子在较低的表面吸附分子密度时倾向于平躺方式；而在较高的表面分子密度时，则倾向于向垂直吸附态转化．亚甲基蓝分子在较低浓度时主要是平躺吸附，随Ｃｌ－浓度的增加，亚甲基蓝从“平躺”吸附态转向“站立”吸附态．     

异丙基膦酸单（1－已基－4－乙基）辛酯从硫酸介质中萃取分离钪、铁和镥

报道了异丙基膦酸单（１一已基一４一乙基）辛酯（ＰＴ一２）的正庚烷溶液在硫酸介质中对Ｓｃ３＋、Ｆｅ３＋、Ｌｕ３＋萃取平衡的影响，结果表明，通过控制酸度可以使三种元素分高。确定了Ｓｃ３＋的萃取机理，低酸度下为阳离子交换反应，高酸度下为溶剂化反应，中等酸度下两种反应并存。研究了饱和萃合物的ＩＲ、ＮＭＲ谱。讨论了温度对萃取平衡的影响，低酸度和高酸度下均为放热反应。     

THE SYNTHESIS AND CHARACTERIZATION OF SOME POROUS CROSS—LINKED POLY （VINYLACETOPHENONE） RESINS AND THEIR CAPACITIES IN ADSORBING GYPENOSIDES

In search of a suitable adsorbent used for the enrichment and separation of natural saponins from an aqueous solution,a series of porous cross-linked poly (vinylaceto-phenone) resins I-Ⅸ were synthesized via the Friedel-Crafts acylation of styrene-divinyl-benzene copolymer beads.Their carbonyl contents were characterized by infrared spectra and elemental analysis.Their physical properties such as bulk densities,skeleton densities,and specific surface areas were also determined.The tests for the resins adsorption of gypenosides showed that only those resins with high carbonyl contents and large specific surface areas could favorably adsorb gypenosides from an aqueous solution with much higher capacities.     

无自旋混杂的耦簇理论

本文用APCCSD(T)，自旋投影方法消除CCSD中的自旋混杂，自旋投影算符^P用自旋湮灭算符^As 1和^As 2的乘积近似表出，提高了计算精度。     

Ag(Ⅰ)与Co(Ⅱ)离子对阳极析氧过程的电催化作用

关于Co（Ⅱ）离子对PbO2和Pt电极上阳极析氧过程的催化作用，以及Ag（Ⅰ）离子对阳极氧化过程的催化作用，文献上已早有报导［1－4］，但大都是仅通过总的极化曲线进行对比研究得出的结果．由于在氧析出的同时往往有其它阳极氧化过程同时进行（例如，Co（Ⅱ）或Ag（Ⅰ）的阳极氧化），因此，很难从总的极化曲线得出正确的结论．本文用气体电量计法直接测量氧析出速度，并对Pt和PbO2电极进行了对比，得出了一些新的结果．1实验方法为了直接测量氧析出过程的分电流，实验时串联了一专收集O2的气体库仑计．电解槽和库仑计阳极均安装在各自…     

4－（2－氨基噻唑）－间苯二酚为柱前衍化剂液相色谱／电化学检测Fe、Co、Ni

４－（２－氨基噻唑）－间苯二酚为柱前衍化剂液相色谱／电化学检测Ｆｅ、Ｃｏ、Ｎｉ格日勒，李惠梅，李南强，汪尔康（中国科学院长春应用化学研究所电分析化学开放实验室，北京大学化学系，长春，１３００２２）关键词液相色谱，Ｆｅ，Ｃｏ，Ｎｉ，４－（２－氨基噻唑）...     

Synthesis and Crystal Structure of 1-[4-(Pyrimidin-2-yl)piperazin-1-ylmethyl]-1H-benzotriazole

1 INTRODUCTION Based on the reported 1.65 ? high resolution crystal structure of spinach KARI (ketol-acid reduc- toisomerase) complex[1], we obtained 279 molecules with low binding energy toward KARI from MDL/ ACD 3D database searching, using program DOCK 4.0[2]. These potential structures provide further information for the design of new KARI inhibitors, one of novel derivatives of which as the title com- pound has been synthesized. Its crystal structure will provide us more inf…