查询词典 ionic structure

The structure, the auxiliary ionic membrane and operations of electrolyzer with high current density and zero polar distance were introduced.

近年来，不论是盐水的精制方法、电解槽型、电极材料，还是离子膜本身的性能都有了飞跃发展。

It has been found that there is an empirical relationship between the interionic separations at fusion and at tensile fracture of NaCl-structure ionic crystals, viz.

发现拉伸断裂时的离子间距γi与从等压态方程计算得到的晶体熔化时的离子间距γm之间存在一个经验关系式，即γm=0。

Based on parameter free interionic potentials of the Gordon Kim modified electron gas formalism extended to molecular ions, the structure phase transitions in ionic molecular solids of the perovskites ABX 3 are discussed, which take the results of molecular dynamics simulations of KCaF 3 as an example.

基于无调节参数的Gordon－Kim势和一种检测离子运动的新技术，以KCaF3的分子动力学模拟结果为例，对钙钛矿ABX3的离子分子固体的结构相变作了探讨。包括对阱势、折叠结构、能垒、超离子态、稳定性骨架和离子分子集团BX6的"尺寸"和"形状"。以期对离子分子固体的结构相变有一个基本了解

The results showing that α-Ti, atomic crystal with face-center structure became TiH2, ionic crystal with cubic-center structure, and there were two parallel process after electrolysis: chemical adsorption occured on the surface of material mainly, but dominant physical adsorption enhanced dislocation of crystal.

结果表明，电解后面心立方结构的原子晶体α-Ti转变成了体心立方结构的离子晶体TiH2；存在着两个不平衡的并行进程：化学吸附主要发生在材料表面，占优势的物理吸附强化了材料内部的晶体位错。

Separator/polymer electrolyte system was obtained by activation.How the aggregation structure and porous structure influence ionic conductivity and electrolyte uptake were investigated.

发现在一定条件下制备的多孔膜具有比较好的力学性能以及贯通性良好的孔结构，基于这种膜活化得到的体系，电导率超过1.0×10-3S/cm(20℃)、电化学稳定窗口为0～4.7 V，电导率与温度的关系符合阿仑尼乌斯方程。

Consisting of the protracting graph of hydrogen-like atom"s angle distributing, computer simulation of the symmetry of molecular orbital and chemical reaction mechanism, showing the molecular point group and symmetry element, computer simulation of molecular vibration, Bravias"s crystal lattice and their transforming, extracting of plane periodic lattice, extracting of solid periodic lattice, close packing of isometrical pellet and the structure of simple mental substance, close packing of unequal pellet and crystal structure of representative ionic crystal, Computer Simulation of Phase Analysis by X-ray Diffraction.

内容包括类氢原子角度分布图的绘制，分子轨道对称性和反应机理的微机模拟，分子点群和对称元素显示，分子振动运动的微机模拟，布拉维晶格和晶格转化，平面点阵抽取，立体点阵抽取，等径网球的密堆积和金属单质结构，不等径圆球密堆积和典型离子晶体结构，X射线多晶衍射的微机模拟十个子模块。

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。

Starting from the hydroxylamine (dimethyl amino ethanol, triethanolamine) and 1, 3-propane sultone, a series of hydroxyl and sulfonyl dual-functionalized zwitterionic salts were synthesized. Then dual-functionalized ionic liquids containing both hydroxyl and sulfonyl functional groups were produced successfully by zwitterionic salts and three kinds of strong acids (p-toluene sulfonic acid, trifluoromethanesulfonic acid, methanesulfonic acid) respectively. The structure of zwitterionic salts and dual-functional ionic liquids were confirmed by the 1H NMR and IR.

以羟基有机胺(N，N-二甲基乙醇胺，三乙醇胺)为原料与1，3-磺酸内酯反应合成了一系列含有羟基和磺酸基双官能团的内盐，并将所得到的内盐分别与三种强酸(对甲苯磺酸，三氟磺酸，甲磺酸)反应，成功地合成了双功能化室温离子液体，并通过红外光谱、核磁氢谱测定，证实了内盐和双功能化离子液体的结构。

The application results from fluorination showed microwave heating could accelerate chemical reactions markedly. The reaction time could be shortened 50% at least than that of conventional heating. The relationship between fluorinating agents\' structure and their activity was studied systematically. In addition, an anhydrous KF with higher activity was prepared by using expansion effect of microwave heating. As we known, solvents were very important to reaction. The comprehensive study showed some less polar aromatic solvents could be used as dipolar solvents. In addition, they had better effect than dipolar solvents in some occasions, such as fluorination of chlorobenzaldehydes and chlorinated diphenyl ketones etc. The primary applications of ionic liquids were also studied which indicated reactions with ionic liquids as solvents were more efficient and simple.

研究表明，微波是一种节能高效的加热方式，在微波作用下的卤素交换氟化反应具有反应速度快、转化率高、选择性好的优点，其反应时间可较常规加热缩短50%以上；同时也系统地研究了氟化剂种类及制备方式对其反应活性的影响，并利用微波加热的膨化作用制备出了一种活性较高的KF，其活性与喷雾干燥KF相差不大；溶剂对反应具有重要的作用，在此系统地研究了强极性非质子溶剂和中等极性非质子溶剂的应用情况，发现一些中等极性的非质子溶剂如硝基芳烃和氯代芳烃类溶剂在氯代苯甲醛类化合物的氟化反应中具有比强极性非质子溶剂更好的使用效果。

The calculated results show that azido in azides has linear structure , the most optimized CaN6 has linear structure , and the most optimized (CaN6)n (n=2～5) clusters have chain structure of perpendicularity of approximate diamond composed by two azido with two Ca atoms . The middle N atoms of azido show positive, the N atoms at both ends of azido show negative, and the N atoms effected with Ca atoms directly show more negative . There is strong ionic bond between the Ca and N atoms. The IR spectra of the most optimized (CaN6)n (n=1～5) clusters have four vibrational sections , the whole strongest vibrational peak lies in 2195～2280cm-1,and the vibrational mode is anti-symmetric stretching vibration of N-N bonds in azido . Stability analysis show that (CaN6)3 and (CaN6)5 clusters are more stable than other clusters .

结果表明，叠氮化合物中叠氮基以直线型存在，CaN6团簇的最稳定结构为线型结构，(CaN6)n(n=2～5)团簇首先由两个叠氮基与两个Ca原子构成一个近似菱形，再由菱形相互垂直形成链状最稳定结构；叠氮基中间的N原子显示正电性，两端的N原子显示负电性，且与Ca直接作用的N原子负电性更强，金属Ca原子和N原子之间形成很强的离子键；(CaN6)n(n=1～5)团簇最稳定结构的IR光谱分为4个部分，其最强振动峰均位于2195～2280cm-1，振动模式为叠氮基中N-N键的反对称伸缩振动；稳定性分析显示，(CaN6)3和(CaN6)5团簇相对于其他团簇较为稳定。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。