离子结构

The main content of this thesis includes: studies on the preparation, surface-modification mechanism and electrochemical performance improvement of spinel LiMn〓O〓; Preparation and properties of 5V cathode materials 〓; Physical properties and electrochemical performance studies on layered 〓 for lithium ion batteries.

本论文的主要研究内容包括：正尖晶石LiMn〓O〓的制备、表面修饰改性机理以及电化学性能的改善；具有正尖晶石结构的5伏正极材料〓的合成与性能探索；具有层状结构的镍锰基化合物〓的物理性质与其作为锂离子电池正极材料的电化学性能以及该材料的产业化探索。

Generally the larger La~(3+) ion prefers the monazite type due to its higher oxygen coordination number of 9 as compared to 8 of the zircon type.

而EDTA作为模板剂除了螯合和诱导晶体生长外，还起到抑制镧离子形成9配位结构的作用，从而避免了单斜独居石结构晶相的产生。

It was reported that Indium complex had anti-cancer activity.The electronic structure of Indium is4d~25s~1 and its ions forms are of In and In.In can form easily octahedral complex with chelating atoms.

有报道称铟的配合物能与DNA作用且有抗癌活性，铟最外层具有4d~25s~1结构，其离子常见价态为In，In，并易形成六配位的八面体结构配合物。

The integrated analytical results show that the novel ligand coexists in ketoform and enolform structures under the measuring conditions, the ketoform structure may change into the enolform structure during the coordination and bonds with the central ion by two O atoms of the enolized hydroxyl group of pyrazolone ring and H2O and the N atom of the imine group and the N atom containing H of benzimidazole ring by losing the proton. And the coordination number of these complexes is four.

综合各种分析结果显示：配体在测试条件下以酮式和烯醇式结构共存，配位时酮式可能转化为烯醇式结构，按去质子的方式以吡唑啉酮环羟基和H2O上的两个O原子以及亚胺基上的N原子和苯并咪唑环上的含氢N原子与中心离子成键，配合物的配位数为4。

Prussian blue and its derivates have many excellent characteristics like electrochemistry reversibility, high stability, low cost and easy synthesis.

普鲁士蓝及其衍生物的三维网状结构在无机结构中是独特的，具有沸石特性，能在水溶液中很快地与碱金属离子发生交换。

In Chapter 2, construction, structures and properties of sixteen one-, two-, and three-dimensional coordination polymers self-assembled by 4,4'-bipyridine (4,4'-bpy) and pyrazine with metal salts have been described.

第二章描述了16种含4，4'-联吡啶和吡嗪桥连配体的聚合金属配合物超分子的构筑、结构及性质。通过改变酸度、溶剂体系及各种反离子等条件，分别得到不同层次和维数的、具有各种孔穴或通道结构的聚合配合物。

It is well reported that human telomeric DNA sequence [AGGG3] can form a well-defined quadruplex structure with the hydrogen bond between guanine bases in the appearance of K+ and Na+. It was reported that the formation and stability of the structure is meaningful for both gene regulation and apoptosis.

据文献报道，人类染色体端粒中的重复序列[AGGG3]可以在钠、钾离子存在的条件下通过四个G碱基间形成平面环状氢键从而折叠成四链结构G-quadruplex，此结构的形成与稳定对基因调控以及细胞的凋亡有着重要意义。

Afterwards, using the spherical tensor form of many-electron atom Hamilton and the irreducible tensor theory, the relativistic and fine-structure energy correction to the non-relativistic energy of Boron-like atoms in the ground and the first excited states have been further investigated. A theoretically analytic way has been given as to the calculation of all the radial integrations and spin summations, which concern interactions such as orbit-orbit, spin-orbit, spin-spin and spin-other-orbit. Therefore, the whole process of calculating the many- electron atom energy structures has been explicitly revealed and the results are relatively precise and satisfactory.

在此基础上，利用多电子原子哈密顿算符的球张量形式和不可约张量理论，进一步研究了类硼离子基态和第一激发态非相对论能级的相对论修正和精细结构，给出了轨道-轨道、自旋-轨道、自旋-自旋、自旋-其它轨道等相互作用所涉及的所有角向积分和自旋求和的解析计算方法，清晰地展示了多电子原子结构计算的过程，得到了较为精确的理论计算结果。

It was particularly observed that, with increasing fraction of Q〓 mode Jahn-Teller distortion and decreasing of that of Q〓 mode in the CO state, the magnetic structure evolves from CE-type to C-type, orbital ordering from 3d〓/3d〓 to 3d〓, and crystal structure from tetragonally compressed to tetragonally elongated orthorhombic.

特别是，我们发现〓在电荷有序态下随着Ca〓离子掺杂量从x=0.5增大到x=0.75，合作Jahn-Teller晶格畸变的畸变模式从Q〓模式逐渐转变到Q〓模式，这种晶格畸变模式的转变直接导致了电荷有序态下的磁结构从CE-型转变到C-型，轨道序从3d〓/3d〓转变到3d〓，晶体结构从压缩的正交对称性转变到拉伸的正交对称性。

Four non-ionic europium complexes,〓-phen(11),〓·bipy(12),〓·dia(13) and 〓(14)(TTA=2-thenoyltrifluoroacetone, DBM=dibenzoylmethane, phen=phenanthroline, bipy=2,2'-bipyridine, dia=4,5- diazafluoren-9-one, dmbp=4,4'-dimethyl-2,2,-bipyridine), were synthesised and the triboluminescent phenomena of 12, 13 and 14 were firstly observed. Structure determinations of 11,12 and 14 were carried out. The triboluminescence maxima of 12 and 13 are similar to those of their photoluminescence. X-Ray structure analyses show that Eu atoms all exhibit eight-coordinate tetragonal antiprismatic geometries and complexes 11, 12 and 14 are all centrosymmetric.

二、合成了四个非离子型的铕的配合物：〓、〓、和〓(14)[HTTA=2-噻吩三氟甲酰丙酮，DBM=二苯甲酰基甲烷，phen=邻菲罗啉， bipy=2，2'-联吡啶，dia=4，5-二氮杂芴-9-酮，dmbp=4，4'-二甲基-2，2'-联吡啶]，首次报道了12、13及14的摩擦发光性质，测定了11、12及14的晶体结构，并系统地讨论了晶体结构和摩擦发光活性之间的关系。12及13的摩擦发光光谱的极大值均类似与其相应的光致发光光谱，表明它们有相同的激发态。

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。