动态高温高压条件下氦与c60的相互作用研究分析化学专业论文.docxVIP

西南科技大学硕士研究生学位论文 西南科技大学硕士研究生学位论文 第1页 摘 要 运用不可压缩模型推导出爆轰冲击波推动下飞片速度的解析式，利用阻抗匹 配法求得飞片撞击靶(C60)速度与样品靶内冲击波强度的关系，进而通过控制主 发药类型、有效装药量、飞片的机械强度、飞片质量与飞片距靶(C60)的距离， 实现实验所加载冲击波强度的可控与可知。 通过分析加载不同强度冲击波的合成实验结果，初步探讨了不同加载冲击波 强度对He2@C60合成的影响，结果表明，当加载冲击波强度在8．7 GPa到13．3 GPa 范围内，压强在11．2 GPa左右有利于He2@C60的合成。此外还通过多步HPLC法 富集从产物中得到He2@C小纯品c74、C76、C84和C1200，利用基质辅助激光解 吸电离飞行时间质谱等表征手段对目标物进行了确认。 初步探讨了C60在动态高温高压条件下的反应行为，并获得了C60二聚体产率 及C60的回收率与实验条件的关系：冲击波压强在9 GPa到25 GPa范围内，C60 的二聚体产率及C60的回收率都随压强的增加而降低，冰水环境有利于C60二聚体 的产生。 对形成He@C60的三种计算模型进行初步验证，结果表明，He直接嵌入C60 离子模型的过渡态能垒为421．825 kj／mol，远低于其它模型，且He在嵌入碳笼的 过程中会与碳笼发生相互作用，与碳笼之间有明显的电荷转移。 通过对动态高温高压条件下C60与氦相互作用的实验和理论研究，为内 嵌富勒烯的形成机理及宏量合成提供理论指导和技术支持，相关工作未见文 献报道。 关键词：冲击波飞片He．@C60 C1200 高碳富勒烯 过渡态 AbstractThat Abstract That formula of detonation shock wave to promote the flyer by using an incompressible model was analyzed．Using the impedance matching method，the relationship between the speed of flyer impacting target(C60)and the shock wave intensitv in the sample target have been solved．Artical also investigated the control of the primary drug，effective drug weight，the mechanical strength of flyer,the mass of flver and the distance between the flyer and the target．Through this method，the shock wave intensity of the experiments loaded to be under contr01． The preparation conditions affecting the yields of products has been explored by the shock wave intensity of the experiments loaded，which intensity was at 8．7 GPa to 1 3．3 GPa and the pressure under 1 1．2 GPa was conductive to synthesising He2@C60．In addition，He2@C60，C74，C76，C84 and C1200 were isolated and purified through the multi．．steps HPLC and cycling separation．The products were characterized by MS and other characterization methods．It is proved that the obtained products were the aim compounds． By discussing the reaction behavior of C60 in conditions of high temperature and high pressure，the link between C1200 yield，C60 recovery rate and the experimental c