配基

It crystallizes in the monoclinic space group C2/c, with a=1.6953(3)nm, b=1.9241(4)nm, c=1.7760(4)nm,β=94.75(3)°. Each Gd ion is coordinated by two oxygen atoms from two different radicals NITPh(OCH3)3 and six oxygen atoms from three hfac molecules to form eight-coordinated dodecahedron geometry.

Gd离子采取八配位的模式，两个氮氧自由基作为单齿端基配体分别以氮氧基团的氧原子与Gd离子配位，三个六氟乙酰丙酮阴离子分别以两个氧原子与Gd离子配位，构成十二面体。

According to the theoretic significance and the applications of the complexes, this paper mainly concluded the following work: The ligand, 2-carboxybenzaldehyde-2,4-dinitrophen hydrazone, was synthesized by 2-carboxybenzaldehyde and 2,4-dinitrophenyl hydrazine in absolute alcohol.

中文摘要本文基于芳香腙类化合物的抑菌活性、稀土元素的生物活性以及二者配位后可能的协同效应，主要进行了以下几个方面的工作：在无水乙醇中，利用2-羧基苯甲醛和2，4-二硝基苯肼缩合反应得到了配体2-羧基苯甲醛-2，4-二硝基苯腙(C14H10N4O6)。

The coordination effect between lariat crown ether and lariat azacrown ether with alkali metal ions has been analyzed and compared according to the obtained parameters.

运用得到的量子化学计算参数，如前线轨道HOMO能级，LUMO能级等，对碳基臂式冠醚与氮基臂式冠醚与碱金属离子的配位能力进行了比较和分析，结果表明氮基臂式冠醚分子B对碱金属的配位能力要大于碳基臂式冠醚分子A。

The Molar conductivity indicates that all the complexes are nonelectrolyte. IR spectra show the ligand is bonded with RE ion through its oxygen atom in hydroxyl group of phenol; NO3 is coordinated as a symmetrical chelating bidentate group; the coordinated atoms of DMF and DMSO are the oxygen atoms in carbonyl and sulfoxyl groups. Fluorescence spectrum suggests that the Tb3+complexes have characteristic luminescence and its fluorescence intensity is enhanced after doping with La3+, Gd3+, Y3+, influence of doping ions and neutral ligands have also been discussed.

摩尔电导率表明，所有配合物均为非电解质；红外光谱及核磁共振氢谱表明，对叔丁基杯[8]芳烃通过酚羟基的氧原子与稀土离子配位；硝酸根为双齿螯合配位；DMF和DMSO则分别通过羰基氧和亚砜基氧与稀土离子配位；配合物的荧光光谱表明，所有Tb的配合物具有较强的特征荧光，掺杂La~(3+)、Gd~(3+)、Y~(3+)离子对Tb~(3+)的荧光有较强的增强作用。

The third part of this thesis is reactive simulating calculation In this section, some well-known auxiliaries are selected to compute in density functional theory B3LYP on Gaussian 03, from which the relationship between reaction active energies of transition states and enantiomeric excess of chiral products homoallylic alcohols isobtained based on relative reactive ratio theory. Using this relationship, calculations on the reaction of more than eight auxiliaries with four other aldehydes are carried out in AMI and MNDO, proving that N,N\'-dibenzyl tartamide has higher enantioselectivity than others in this reaction.

第三部分为计算化学部分，运用密度泛函理论B3LYP方法在Gaussian03软件上对已经报道的几种手性配体参与的醛不对称烯丙基化反应过程进行模拟计算，基于相对反应速率理论找出两种构型过渡态间活化能的差异与产物光学收率之间的关系；并以此为基础，用AM1和MNDO方法对上述合成的几种配体控制的反应过程进行量化计算，从而在理论上证实了N-苄基酒石酸二酰胺配体在醛的不对称烯丙基化反应中具有较高的立体选择性。

In the structures of these complexes, zinc can act as the vertex of the networks in various styles: single atom; dicarboxylate, tricarboxylate or tetracarboxylate bridged binuclear SBU ; and octacarboxylate bridged trinuclear SBU.

在这些配合物的结构中，锌离子可以按多种形式作为网络结构的顶点：单原子，双羧基、三羧基或四羧基桥连的双核锌次级结构单元，八羧基桥连的三核锌次级结构单元，再与配体组装成不同的配位聚合物网络。

The intramolecular hydrogen bonding can extend the ligand planarity and increase the intercalative ability of the complex to DNA. It is concluded that the torsion between the aromatic rings of ligands, due to introduction of the bulky substituent, results in the complexes only to partially or non-classically intercalate into DNA.

能够使配体平面性增大的分子内氢键的形成，有利于配体对DNA的插入作用；但是，由大体积的取代基所引起的配体芳环间的扭转，致使配体只能&部分地&或&非经典地&插入DNA碱基对。

Reaction of 9-bromofluorenewith diethyl malonate and sodium carbonate gives diethyl 2-(9-Fluorenyl)malonate.Aminolysis of diethyl 2-(9-Fluorenyl)malonate in ethylenediamine and propylene diamine give〓 and 〓, respectively.〓 and 〓 were synthesized by the reaction of 9-bromofluorene with oxalyl bisethylenediamine. Copper and nickel complexes of 〓 and 〓 were obtained by the reaction of 〓 and 〓 with copper and nickel salt, respectively, in aqueoussolution and extrusion of two hydrogen ions from the amide groups.

使9-溴芴与丙二酸二乙酯在无水碳酸钠存在下反应合成出2-(9-芴基)丙二酸二乙酯。2-(9-芴基)丙二酸二乙酯在乙二胺中胺解得到配体〓，2-(9-芴基)丙二酸二乙酯在1，2-丙二胺中胺解得到配体〓，使9-溴芴与草酰二乙二胺作用得到配体〓和〓与相应的金属盐作用分别得到它们的铜、镍配合物。

Four bidentate NS ester ligands, two bidentate NS amide ligands, tridentate MBPA and tetradentate BMBPA ligands have been synthesized.

合成了四种含有酯基的NS二齿配体-CYE系列物，两种含有酰胺基的NS二齿配体，三齿配体MBPA和四齿配体BMBPA。

The carboxyl of the tripodal ligand is a goodbridging group. The building blocks are linked together by the bridging group andother weak interactions (hydrogen bond and π-π stacking interaction, etc), thusgenerating a one, two or three-dimensional metal complexes.2. Studies on the fluorescence properties of the lanthanide complexes indicated that:(1) The excitations in the ligand-based π-π〓 transitions cause the structuredemission of lanthanide complexes while the ligand luminescence is completelyquenched showing that ligand-to-metal energy transfer occurs.

三脚架配体所带的羧基是一个很好的桥联基团，配合物的结构基元通过这种基团的桥联作用及其它一些弱的作用力(如氢键、π-π堆积作用等)联系起来，构成了一维、二维或三维的超分子空间结构。2、稀土配合物的发光研究发现：(1)用配体的π-π〓跃迁波长进行激发，配合物均显示出稀土离子的特征发射峰，同时，配体的荧光峰没有出现，这说明在三脚架配体与稀土离子间进行了有效的能量传递。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。