查询词典 oxadiazole

We synthesized the conjugated polymer which combine the structure characteristics of carbazole and oxadiazole as host material.

中文摘要本论文主要合成出一系列以恶唑(1，3，4-oxadiazole)与咔唑为主体的高分子，应用於有机发光二极体之发光层中的主发光体材料。

The results showed that the maximum UV absorption wavelengths of those 1,3,4-oxadiazole derivatives in dichloromethane were in the range of 268~327 nm, and their maximum photoluminescent wavelengths in dichloromethane and solid film were located at 332~390 nm and 359~439 nm, respectively. The 1,3,4-oxadiao1e derivatives exhibit a first endothermal peak at 120~328℃ in the DSC heating process, and the symmetrical 1,3,4-oxadiazole derivatives display a higher melting temperature. The CV curves of those 1,3,4-oxadiazole derivatives indicate that the reductive potentials of the 1,3,4-oxadiazole derivatives are located at -1.03~0.98 V, and their LUMO(the lowest unoccoupied molecual orbit) energy levels are -3.71~-3.76eV.

结果表明，该类衍生物在二氯甲烷溶液中的最大紫外吸收波长在268~327nm范围，在二氯甲烷溶液和固体膜中的最大荧光发射波长分别在332~390nm和359~439nm范围；DSC分析结果表明，5个噁二唑衍生物的起始吸热峰位于120~328℃之间，其中对称结构的噁二唑衍生物显示了较高的熔融温度；由循环伏安图和相关计算结果表明，5个噁二唑衍生物的还原电位位于-1.03~-0.98V，其相应的最低非占有分子轨道能级在-3.71~-3.76 eV之间。

The molecular charge distribution of the reactivator is affect the reactivating efficacy directly. Moreover its association with hydroximic acid dissociation constant pAa closely, and it will have a great impact on reactivating ability indirectly.(3) There is likely to exist front molecular interaction between Cholinesterase Reactivators and OPC-inhibited AChE, the action sites mainly lie on the aromatic ring, the substitute R and the hydroixic acid group. They act on the aromatic residues of AChE by Π-Π conjugation .(4) The reached results by Comparative Molecular Field Analysis is useful to design new higher efficacy derivatives for 1, 2, 4-oxadiazole class nonquaternary Cholinesterase Reactivators.

2复能剂分子的电荷分布直接影响复活活性，同时对肟酸解离常数pKa具有重要影响，间接影响复活能力；(3)复能剂与磷酰化酶可能存在前线轨道作用，作用部位可能主要在芳香环及其取代基R和肟基上，与AchE的芳香族残基发生л-л电子作用；(4)通过比较分子力场法研究可以指导1，2，4-oxadiazole类非季铵肟胆碱酯酶重活化剂新化合物的合成，可能得到活性更高的复能剂。

In this thesis, two classes nonquaternary Cholinesterase Reactivators (1,2,4-oxadiazole and a -ketothio Hydroximic Acids derivatives ) and some clinical therapy used reactivators added to almost 40 cases have been caculated by using Comparative Molecular Field Analysis,ab initio and molecular mechanism methods. The characteristics of the molecular orbitals and the quantitative structure-activity relationship have been investigated.

本文利用比较分子力场法，量子化学从头算法，分子力学及计算化学回归分析等方法，对1，2，4-oxadiazole类非季铵肟胆碱酯酶复能剂，α—酮硫代异羟肟酸酯复能剂及部分现临床使用的复能剂，近40个化合物进行了计算，分析和研究了其电子结构和几何结构特征，建立了定量构效关系方程，得到了以下一些有意义的结果。

In the thesis, a series of novel single and multi-armed oxadiazole bridging ligands and pyridyl-4, 5-imidazole dicarboxylic acid ligands have been synthesized. The coordination chemistry of these novel ligands with transition metal ions was investigated. In addition, two 1, 3, 4-oxadiazole bridging ligands end-capped by chelating Schiff-base coordination sites have been designed and synthesized. The coordination chemistry based on one of the two ligands with metal ions was primarily investigated.

本文报道了一系列新颖的含1， 3， 4-Oxadiazole杂环的单臂及多臂有机配体，研究了它们与过渡金属离子的配位反应化学；合成了吡啶基-4，5-咪唑二羧酸有机配体，研究了它们在水热条件下与过渡金属离子的配位反应化学；另外，还合成了1， 3， 4-Oxadiazloe杂环桥联的双Schiff-base有机配体，初步探讨了其与过渡金属离子的配位反应化学。

Three novel blue-light-emitting copolymers with bulky hole-transporting carbazole and/or electron-transporting oxadiazole pendant groups attached at the C-9 position of fluorene have synthesized.

在fluorene碳-9位置上导入具有电洞传输特性的carbazole基团或具有电子传输特性的oxadiazole基团之三个高分子材料已成功被合成。

The results showed that the LUMO values are -3.19eV for organic oxadiazole,-3.16eV for macromolecular oxadiazole and -3.21eV for Poly(1,3,4-oxadiazole) and their HOMO values are all under -6.0eV, hinting that they show good hole-blocking characteristics.

利用循环伏安法测定了三种不同类型衍生物的带隙和HOMO、LUMO能级，噁二唑类小分子、大分子、聚合物衍生物的LUMO能级分别为-3.19eV、-3.16eV、-3.21eV，有利于电子的注入，三种噁二唑衍生物的HOMO能级都在-6.0eV以下，对空穴也有很好的阻挡作用。

But no electron transfer was found from the excited porphyrin moiety to the oxadiazole moiety. Moreover, cyclic voltammetric studies of the dyads 5a , 3b and 4b further indicated that electron transfer from the oxadiazole moiety to the porphyrin moiety was possible.

nm激发下不存在分子内卟啉基团向噁二唑基团的电子回传竞争；电化学性能测定进一步表明从噁二唑基团向卟啉基团的电子传递是可能的。

Here we introduced oxadiazole moiety to theside-chain of Ph-PPV to enhance the electron transport properties. The luminescenceefficiency and luminescence brightness (1.33cd/A, 9400 cd/m~2) of the Ph-PPV withside oxadiazole moiety are much higher than non-oxadiazole Ph-PPV (0.70 cd/A,2300 cd/m~2), and these polymers emitted green light which unaffected by theintroduction of oxadiazole moiety. Anthracene has a rigidity and planar structure which shows high photoluminescenceand thermo-stability.

结果表明，以十烷氧基作为间隔基使噁二唑单元键接在苯基取代PPV的侧链，所得材料制备的电致发光器件的效率和亮度(1.33cd／A，9400 cd／m~2)明显高于不含噁二唑单元的苯基取代PPV(0.70 cd／A，2300 cd／m~2)，噁二唑单元的引入并不影响材料的发光光色，膜状态下的荧光发射光谱和电致发光光谱均呈绿光发射。

Electron-transporting oxadiazole monomer 2-phenyl-5-p-(N-acrylateamino-phenyl-1,3,4-oxadiazole was designed, synthesized and copolymerized with NVK, MMA and Tb2 to give a Tb-complex containg copolymer PKMOTb with dual transporting moieties.

设计并合成了一种具有电子传输性能的噁二唑类单体2-苯基-5--1，3，4-噁二唑，并将此单体和NVK、MMA、Tb_2共聚，合成了同时带有双传输基团和稀土金属配合物单元的新型四元共聚物PKMOTb。

This one mode pays close attention to network credence foundation of the businessman very much.

这一模式非常关注商人的网络信用基础。

Cell morphology of bacterial ghost of Pasteurella multocida was observed by scanning electron microscopy and inactivation ratio was estimated by CFU analysi.

扫描电镜观察多杀性巴氏杆菌细菌幽灵和菌落形成单位评价遗传灭活率。