LDHs主体层板与卤素阴离子超分子作用的理论研究

构建了LDHs主客体作用模型, 采用混合密度泛函B3LYP方法, 在6-31G(d)水平上进行结构优化和频率分析, 然后分别用6-31G(d)和6-311++G(d, p)基组计算主客体相互作用能, 从几何参数、电荷布居、前线轨道、能量以及热力学参数等角度探讨LDHs主体层板与卤素阴离子(F?, Cl?)间的超分子作用. 计算结果表明, LDHs主体层板复合卤素阴离子是一个自发过程. LDHs主客体间存在着较强的超分子作用, 主要包括静电和氢键作用, 相互作用能分别为?592.45和?444.01 kJ·mol?1. LDHs主体层板与卤素阴离子的前线轨道发生作用, 电子容易从卤素阴离子的HOMO向层板的LUMO转移, 形成的组装产物Mg6Al(OH)14+?F?比Mg6Al(OH)14+?Cl?稳定.     

含羟基（巯基）的叔胺型螯合树脂的合成及吸附性能

含羟基（巯基）的叔胺型螯合树脂的合成及吸附性能倪才华（湖北荆州师范专科学校化学系荆沙４３４１００）徐羽梧（武汉大学化学系武汉４３００７２）关键词螯合树脂，巯基，吸附性能，贵金属已有研究表明：含硫氮的资合树脂对于贵金属离子有优良的吸附性能ｌ’一又Ｎ，Ｎ...     

含氟三元丙烯酸酯乳液共聚物的合成及性能

含氟三元丙烯酸酯乳液共聚物的合成及性能;甲基丙烯酸甲酯;丙烯酸丁酯;含氟甲基丙烯酸酯;β-环糊精     

Synthesis and Crystal Structure of a New N-alkylated Azacrown Ligand

1mTRODUCTIONAzamacrocyclicligandsandtheirmacrocyclicderivativeswithincorporatingpendantarmsgroupshavereceivedmuchattentionfortheirusesiniontransportandasmodelsinbiomimicresearchc1-51.Recentlymuchattentionisespeciallyfocusedonstudyingtransitionmetalcomplexesofmacrocycles"-".Conversely,onlyafewre-Portsareaboutcomplexesofmixedoxygen-nitrogendonormacrocyclesincorporatingtwoPendantarms,mostofwhicharecarboxylicacidgroups.Theymaybeappliedinionidentification,iontransportandionseparation"-"'aswell…     

Real—time Analysis of the Interaction between Calmodulin and Melittin by SPR Spectroscopy

Surface Plasmon Resonance (SPR) is a new technique for the biomolecular interaction analysis developed from 1990. Compared with traditional methods of analysis, SPR has its obvious advantages: fast-speed, no-labeling, real-time and micro sample requiring, etc.. In this case, it has been applied extensively to the studies in life research1,2. Calmodulin (CaM) is a ubiquitous calcium-binding protein in eucaryotic cells and serves as a multifunctional regulator in variety of cellular proces…     

吸附在AgCl溶胶表面的单取代亮氨酸四苯基卟啉电子光谱和化学反应研究

结构对称且苯环上连有较小取代基 (硝基、卤素、烃基、甲氧基等 )的四苯基卟啉类化合物在酸性溶液中的光谱性质以及吸附在金属和半导体表面的化学反应研究引起人们的极大关注[1 3] 。从生命科学的角度考虑 ,卟啉环上连有氨基酸的四苯基卟啉较接近天然卟啉化合物[4 ,5] 。为了给天然酶的模拟研究提供信息 ,本文研究了这类卟啉衍生物Ｈ2 (ｐ Ｌｅｕ)ＴＰＰ在酸性溶液中的光谱性质及其吸附在ＡｇＣｌ溶胶表面的化学反应性质 ,并将之与Ｈ2 ＴＰＰ的光谱性质进行比较。1　实验部分1 1　仪器与试剂日本岛津ＵＶ 2 2 0 1紫外 可见分光光度计 ;ＰＨ…     

ELECTRON-TRANSFER REACTIONS OF CROSSLINKED POLY(1-PYRIDINIOMETHYL)STYRENE CHLORIDE 2. REDUCTION OF NITRO-COMPOUNDS

Continuing the study of electron transfer reactions of polypyridiniomethylstyrene chloride (PSPyCl), the reduction of nitro-compounds by the PSPyCl-Zn system was investigated. In general azoxy compounds were obtained as chief intermediate product of reduction. Reduction of nitrobenzo-15-crown-5 and its homologues give a new class of bis-crown ether compounds——azoxy-bisbenzocrown ethers. Azoxybisbenzocrown ethers undergo photoinduced trans-cis isomerization, which is reversible on irradiation with UV and on storage in darkness, similar to the case of azobiscrown ethers. Investigation of solvent extraction of various cations by azobiscrown ether isomers shows that cis-azoxybisbenzo-15-crown-5 exhibit good selectivity toward Nd~(3 ) from other rare earth cations.     

聚硅氧烷-聚醚接枝共聚物的合成及其碱金属盐络合物离子电导的研究

 本文采用环氧乙烷与环氧丙烷共聚合成了一系列低分子量的聚醚(PEP),并用PEP的单烯丙基醚借助氢化硅烷基化反应(Hydrosilylation)制备出一种新型聚硅氧烷接枝聚醚的高分子电解质主体材料(PAEPS).分别讨论了共聚物组成、盐的种类和浓度等因素对交联PAEPS与碱金属盐络合物电解质膜离子电导的影响.结果表明,PAEPS与碱金属盐络合物的室温电导率较纯线型PEO提高两至三个数量级,电导率随温度变化关系基本上符合VTF方程,属于典型的非晶电解质行为.     

冲击波处理结晶MgO的ESR研究及对丁烯异构化的影响

冲击波处理结晶ＭｇＯ的ＥＳＲ研究及对丁烯异构化的影响张菊，郑小明，倪哲民徐康，杨廷录，刘建军（杭州大学催化研究所，杭州，３１００２８）（中国科学院兰州化学物理研究所）关键词冲击波，结晶ＭｇＯ，ＥＳＲ，丁烯异构化由爆炸在凝聚态物质中产生的冲击波是一种以...     

THE MOLECULAR WEIGHT AND ITS DISTRIBUTION OF 1, 2-POLYBUTADIENES PREPARED WITH MOLYBDENUM CATALYST SYSTEMS

The study on the molecular weight and its distribution of 1, 2-polybutadienes prepared with MoCl_4OR-i-Bu_2AlOR' catalyst systems has been carded out by viscosity and GPC methods. 1, 2-Polybutadienes with (?)=1.2-2.0can be obtained with these catalyst systems at 30—70℃. There is a linear relation between the (?) and the polymerization temperature. It was found by extrapolation that these catalyst systems may possibly initiate a living polymerization at the temperature near 18℃. The molecular weight of the polymers can be regulated either by polymerization temperature or by adding polar compounds such as allyl halides.