化合物

We have presented a practical method for the preparation of propargylic alcohols from terminal alkynes and carbonyl compounds promoted by KOH in the presence of 18-crown-6,and subsequent efficient cyclizations of propargylic alcohols with 2-naphthol catalyzed by InCl_3·4H_2O under the solvent-free ball-milling conditions.Ball milling exhibits its superiority over the reported methods in the preparation of propargylic alcohols and naphthopyran derivatives.

采用机械研磨方法进行了连续的两步固相化学反应的研究：首先，在氢氧化钾和18-冠-6的作用下，端基炔和羰基化合物在机械研磨条件下反应可以高效地生成相应的炔醇化合物；其次，在四水合三氯化铟的催化作用下，生成的炔醇化合物和2-萘酚在机械研磨条件下环加成生成相应的萘并吡喃产物。

Then the cyclocarbonylation of propargylic alcohols under the catalysis of Pd 〓 with CuBr〓 and BQ was studied. Due to the high activity the yields of -α-bromoalkylidene-β-lactones were lower than that of -α-chloroalkylidene-β-lactones while the coupling reaction of -α-bromoalkylidene-β-1actones (i. e. Sonogashira and Suzuki coupling reaction) was quite smooth to afford the products in high yields.

接着我们研究了炔丙醇在Pd〓-CuBr〓-BQ催化体系下的羰基插入环化反应，由于-α-溴代亚烷基-β-内酯环化合物的活性高于-α-氯代亚烷基-β-内酯环化合物，导致反应收率偏低，而同样基于此原因，-α-溴代亚烷基-β-内酯环化合物的偶联反应进行得很顺利，而且收率很高。

In the investigatedcomposition region,two ternary phase:Nd3(Fe1-xVx)29(x=0.066-0.095)and Nd(Fe1-xVx)12(x=0.125-0.167),one pseudobinary phase:Nd2(Fe1-xVx)17(x=0.000-0.066)areobserved at 1323K.

在1323K温度时观察到三个化合物，其中有两个三元化合物：Nd3(Fe1-xVx)29(x＝0.066-0.095)和Nd(Fe1-xVx)12(x＝0.125-0.167)，和一个二元化合物固溶体Nd2(Fe1-xVx)17(x＝0.00-0.067)。

Among them, pyrazole and its derivatives play an important part, exhibit better bioactivity and are becoming one kind of the most important leading structures in the fields of the organic synthesis.

在这些化合物中，吡唑类的化合物，尤其是吡唑类的芳环化合物被发现有着广泛的生物活性，因此成为了重要的药物研究先导结构，在很多有机合成及生物代谢过程中起着承上启下的中间体作用。

For 9 pyrazole compounds,their geometry and electronic structures were analyzed by means of natural bond orbital theory;their reactivity was analyzed by electrostatic potential distributions,heats of formation and Bader density were also calculated.

在最稳定几何构型基础上，基于自然键轨道理论，分析了稳定结构的成键情况和吡唑环上的共轭性；用静电势图分析了吡唑化合物的反应性；理论估算了9种化合物的标准气态生成热和Bader密度；最后采用VLW方程计算了这些化合物的爆速、爆压。

For 9 pyrazole compounds, their geometry and electronic structures were analyzed by means of natural bond orbital theory; their reactivity was analyzed by electrostatic potential distributions, heats of formation and Bader density were also calculated. After that, detonation velocities and Chapman-Jouguet pressures of these compounds were given by means of VLW equation.

在最稳定几何构型基础上，基于自然键轨道理论，分析了稳定结构的成键情况和吡唑环上的共轭性；用静电势图分析了吡唑化合物的反应性；理论估算了9种化合物的标准气态生成热和Bader密度；最后采用VLW方程计算了这些化合物的爆速、爆压。

The results indicate that the introduction of bulky groups into the pyrazoline ring increases the glass transition temperature of the compounds and changes the luminescent mechanism of the compounds.

结果表明，在吡唑啉化合物的5位引入稠环取代基提高了吡唑啉化合物的熔点；同时，5位取代基的电位性质还影响着化合物的发光行为。

When a strong electron-withdrawing group (e.g., nitrobenzene group) is located on the position 3, the twisted configuration between pyrazoline ring and the substituted phenyl group on the position 3 is the fluorescence emission configuration of this kind of 2-pyrazolines, and the planar configuration between two moieties is also the best non-radiative decay configuration of these compounds.

对于C3位取代基为强的拉电子基团的化合物，C3位取代基与吡唑啉环相扭曲的构象是化合物分子的发光构象，而两者处于同一平面的构象是化合物的最佳非辐射衰变构象，与N1所联取代基的旋转扭曲无关。

It can be proposed that when the substituent is an electron donor, the twisted configuration between pyrazoline ring and the moiety attached on N1 is the fluorescence-emitted configuration of 2-pyrazoline, and the configuration where two moieties are placed in a co-plane is the best non-radiative decay configuration of these compounds.

这表明，对于C3位取代基为推电子基或弱的拉电子基团的化合物，N1所联取代基与吡唑啉环相扭曲的构象是化合物的发光构象，两者处于同一平面的构象是化合物的最佳非辐射衰变构象，与C3所联取代基的旋转扭曲无关。

The thesis consists of two main sections. The synthesis of 1,3,4-thiadiazoles,triazolotriazines and dioxapyrrolinopyrazoles containing chiral pyrazolyl moietyfrom D-glucose is described in the first part and the section one is about theDiels-Alder reactions between dienophile enaminones and diene 1,2,4-triazines,which provides a new methodology to construct the pyridine compounds. A total of37 new compounds were synthesized.

本论文包含两部分内容，一是以D-葡萄糖为原料合成含手性吡唑基的1，3，4-噁二唑、三唑并三嗪及二氧代吡咯啉并吡唑类化合物；二是将烯胺酮作为亲双烯体，与双烯体1，2，4-三嗪类化合物发生Diels-Alder反应，发现了一令人意外的构建吡啶类化合物的新方法。

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。