离子结构

The completely diagonalized Hamiltonian matrices of 3d2／3d8 ion configuration in the trigonal symmetry sites have been established by irreducible representation method. Taken into account microscopic magnetic interactions, the spectral fine structure, local structure and zero-field splitting parameters of V3+:α-Al2O3 and Ni2+:α-Al2O3 crystals are investigated as well as the influence of the doping.

应用不可约张量方法构造了三角晶场中3d2/3d8态离子的45阶可完全对角化的能量哈密顿矩阵，在考虑了微小磁相互作用的基础上计算了V3+：α-Al2O3和Ni2+：α-Al2O3晶体的光谱精细结构、晶体局域结构和零场分裂参量，研究了掺入Ni2+和V3+对α-Al2O3晶体光谱精细结构、晶体局域结构和零场分裂参量的影响。

They are:In the third chapter, the crystal structures of these new dca complexes are described anddiscussed in detail. Besides two mononuclear complexes, 1 and 2, complexes 3～15 arecoordination polymer with novel and interesting structural characteristics. 3, 6, 7, 8, 9 are 1Dpolymers, 4 and 5 are of 2D extending structure, while 10, 11, 12, 13, 14, 15, 16, 17 form thefirstly reported series heteronuclear dca coordination polymer, in which (except 10) differentbuilding blocks, with different metal ions in them, construct interesting architecture, like α-and β-type 〓 chains, ladder chain 〓, scaffold structure of 12, and "sandwich"layer structure in 15 and 16, etc..

这些配合物是：第三章中，我们详细描述讨论了这些新型的二氰胺配合物的晶体结构，除两个单核配合物1和2之外，其余十五个为配位聚合物并具有新颖和有趣的结构特征。3，6，7，8，9是一维配位聚合物，4和5则呈现二维扩展结构，而10，11，12，13，14，15，16，17属于首次报道的一系列的二氰胺异金属配位聚合物，其中(除10外)含有不同金属离子的构造&砌块&可构建出有趣的结构，如α-和β-型〓链，梯形链〓，12中的脚手架结构，以及15和16中的&三明治&层状结构等。

In order to investigate the effects of thecomposition and structure of the conductive coordinative polymolecular compounds on theirconductivity,we choose the functional organic molecules that can form stable free-radicalions as the ligands,investigate the coordinative bridging interaction of the transition metals orrare earth ions with the ligands and the compositions and properties of the complexes.It willprovide scientific basis for the development and application of new conductive materials.

为了探讨和总结导电性配位高分子化合物的组成及结构与化合物导电性能的关系和规律，我们选择了能形成稳定自由基离子的功能性有机小分子化合物作为配体，研究它们与过渡金属离子及稀土离子的配位桥联作用以及有关配合物的组成和性质，从而为新型导电材料的开发和应用提供科学依据。

In order to solve the problems of complex cellulose production process and serious pollution, The paper investigated the solubility of cotton stalk cellulose in ionic liquid N-ethyl pyridinium bromide. The structural differences between cotton stalk cellulose and cellulose regenerated from the ionic liquid were investigated using infrared spectroscopy and chemical analysis. Recovery ratio of ionic liquids was also studied.

为解决纤维素生产加工过程复杂且污染严重问题，试验探讨了棉秆纤维素在离子液体溴代N-乙基吡啶中的溶解性能，采用红外光谱等手段对棉秆纤维素在离子液体中溶解和再生前后的结构变化进行了分析，并探讨了离子液体的回收。

By using multi-dimensional nuclear magnetic resonance method we have studied the folding mechanism of staphylococcal nuclease in vitro; the tertiary interactions for folding of SNase fragments into native-like conformation; the interaction between SNase N- and C-terminal subunits; the relationship of enzyme activity with folding and dynamic states of SNase; the structural properties of enzyme protein while exert its function. We have studied the internal motions of thermophilic Archaea protein Ssh10b and mechanism of its heat-resistance using the NMR 1H-15N relaxation and H/D exchange methods. We have determined the 3D solution structure of human translationally controlled tumor protein TCTP and the Ca2+-binding site; determined the 3D crystal structure of human mitoNEET, a novel protein from distinct groups of iron-sulfur proteins; determined the 3D solution structure of a novel chromatin protein Cren7. Determination of SNase-DNA and Archaea protein-DNA complex structures are in progress.

运用异核多维核磁共振方法研究了金黄色葡萄球菌酶体外折叠机制，酶蛋白片段体外折叠成类天然溶液三维构象的三级相互作用力，酶蛋白亚基间的相互作用，酶蛋白的折叠以及内运动状态与酶活力的关系，酶蛋白发挥功能时的结构特性；运用NMR的1H-15N 驰豫和H/D交换方法研究了嗜热古菌蛋白质Ssh10b双体结构内运动特性，热稳定性机制；确定了人翻译控制的肿瘤蛋白TCTP蛋白的溶液三维结构及其钙离子的结合部位；确定了一类新的铁硫蛋白家族蛋白人线粒体膜上mitoNEET蛋白的晶体结构；确定了一个新型的染色质蛋白Cren7的溶液三维结构；正在研究金黄色葡萄球菌酶及嗜热古菌蛋白质与DNA复合体的溶液三维结构。

The results indicated that: Tripyrazolone, tripodal and crptands ligand L〓, L〓 and L〓 have good coordination ability with rare earth ions Rare earth ions were coordinated with their oxygen and nitrogen atoms.

结果表明，三脚架结构吡唑啉酮、三酸和穴醚配体与稀土离子有较好的配位作用，它是通过氮原子、氧原子与稀土离子配位的。而穴醚配体与稀土离子配位效果却不好。

It was found that the central metal ion is located at the symmetric center of the molecule. Four oxygen atoms from two H2O molecules and two 〔C6H4(CO2)2〕2- groups are coordinated with copper ion to form a similar planar square coordination configuration. There is one only unidentate coordination bond between O(1) in 〔C6H4(CO2)2〕2- and Cu2+.

结构分析发现，中心金属离子位于分子的对称中心位置，铜离子与来自2个水分子和2个邻苯二甲酸根中的4个氧原子形成近似正方形平面配位，邻苯二甲酸根是以1个O(1)与Cu2+离子形成单齿配体，O(2)和Cu2+之间没有形成配位键。

Serious corrosion and destroy by the alkalescent waste water from ammonia soda producing process occurred on water treatment buildings in Jiaozuo Xin'an Chemical Factory.

纯碱工艺中碱性废液对混凝土结构水处理构筑物产生较严重的腐蚀和破坏。在其腐蚀破坏过程中，溶解性化学腐蚀、膨胀性结晶化学破坏和强碱腐蚀作用等几种腐蚀同时存在，并相互影响，起作用的影响因子有镁离子、氯离子、硫酸根离子和废液的强碱性等

The ciliates were always ideal materials in the studies of the structure and function of cytoskeleton and its cell control and adjustment, for they have many kinds of cytoskeletons with complexity and they could be easily cultured and handled.

由于原生动物纤毛虫具有多种复杂的细胞骨架结构，加之其材料培养和处理的优点，一直被作为研究细胞骨架结构与功能及其细胞调控的理想材料。20世纪80年代初，许多学者应用蛋白银染色方法和超微结构方法，显示了纤毛虫细胞皮层中以纤毛基体作为主成分的骨架结构，探讨了纤毛虫皮层纤毛器的形态、形态发生及其结构形成机理，在国内外原生动物细胞学领域成为主流。20世纪90年代起，先后应用非离子去垢剂处理和扫描电镜相结合的方法、稳定保存微管结构的透射电镜术，微管蛋白的抗体标记及其免疫荧光技术及相关的生化与分子生物学等方法显示纤毛虫的微管胞器及其微管蛋白组分，探索微管胞器的形态、功能及其微管装配机理，积累了较多的资料，取得了重要的进展。

We note from the further studies that in the crystals, which sharing the similar crystal structures and coordinational environments, the magnitude of the Stokes shift of the luminescence of the dopant ion is in line with the average covalency of the replaced lattice site. This is because that the nature of Stokes shift is the energy transfer from the luminescent ion to the host lattice. The value of this energy is determined by the frequency of the host lattice in which the frequency is controlled by the chemical bond characters.

更深入的研究发现，在晶体结构和中心离子配位环境非常相似的系列晶体中，掺杂离子发射光的Stokes位移值与其所取代格位的平均共价性成正比的关系，这是由于Stokes位移的本质是发光离子在发光过程中向基质以光波辐射的形式传递能量，这一能量的大小是由基质的振动频率决定的，而基质的化学键性质恰恰决定着基质的振动频率。

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。