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氧鎓离子

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The mechanism of ring-opening cationic polymerization reaction of tetrahydrofuran and butylene oxide was analyzed on the basis of electronic microstructures by using frontier orbitaltheory.

求取了四氢呋喃和环氧丁烷单体与仲氧鎓离子反应的过渡态,并根据频率分析和内禀反应坐标计算对过渡态的合理性进行了确认。

Thepotential energy surface of these reactions were plotted, and the energy barrier of the reaction between THF and secondary oxonium ion was determined to be 182.0.116 kJ/mol.

本文进一步对四氢呋喃阳离子开环聚合反应过程中,氧鎓离子与水反应的机理进行了分析。

As to butylene oxide and secondary oxonium ion the barrier was determined to be 92.672kJ/mol.The reaction between oxonium ion and water in the polymerization of THF was investigated too.

结果表明,与四氢呋喃单体相比,水更容易与氧鎓离子发生反应,因此可以用水作为中止剂,来控制聚合产物的分子量。

By using density functional theory B3LYP/6-311G++method, the geometric configuration was optimized for tetrahydrofuran、butylene oxide、 secondary oxonium ion and tertiary oxonium ion. And parameters about the electronic structure, bondlength, energy of frontier orbital of these species were determined.

采用DFT中的B3LYP/6-311G++方法对四氢呋喃和环氧丁烷单体、仲氧鎓离子以及叔氧鎓离子进行了几何构型的全优化,确定了各个构型的电子结构、键长和前线轨道能量等参数,并运用前线轨道理论从微观层次上分析了四氢呋喃和环氧丁烷的阳离子均聚反应机理。

The calculated results indicate that the energy bathers for the formation of dimethyl ether and trimethyl oxonium ion inside HSAPO-34 zeolite are 1.68 and 0.93 eV, respectively. The suggested intermediate oxonium ylide is very unstable and the energy barriers for the formation of C-C bond are over 3.0 eV by concerted pathway.

结果表明,二甲醚和三甲基氧鎓离子在HSAPO-34分子筛上的生成能垒分别为1.68和0.93eV,中间体氧鎓叶立德不能稳定存在,同时表明C-C键通过协同反应形成的能垒均超过3.0ev。

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It has been put forward that there exists single Ball point and double Ball points on the symmetrical connecting-rod curves of equilateral mechanisms.

从鲍尔点的形成原理出发,分析对称连杆曲线上鲍尔点的产生条件,提出等边机构的对称连杆曲线上有单鲍尔点和双鲍尔点。

The factory affiliated to the Group primarily manufactures multiple-purpose pincers, baking kits, knives, scissors, kitchenware, gardening tools and beauty care kits as well as other hardware tools, the annual production value of which reaches US$ 30 million dollars.

集团所属工厂主要生产多用钳、烤具、刀具、剪刀、厨具、花园工具、美容套等五金产品,年生产总值3000万美元,产品价廉物美、选料上乘、质量保证,深受国内外客户的青睐

The eˉtiology of hemospermia is complicate,but almost of hemospermia are benign.

血精的原因很,以良性病变为主。