伯胺催化剂催化不对称迈克尔加成反应的理论分析-theoretical analysis of asymmetric michael addition catalyzed by primary amine catalyst.docxVIP

目录中文摘要 ..................................................................................................................................................IABSTRACT......................................................................................................................................... III第一章 绪论 ........................................................................................................................................... 11.1 论文工作的背景和意义................................................................................................................ 11.2 研究现状及进展............................................................................................................................ 21.2.1 胺类化合物............................................................................................................................. 31.2.2 手性伯胺类催化剂的分类..................................................................................................... 41.2.3 伯胺诱导的烯胺活化 Michael 加成反应41.2.4 伯胺诱导的亚胺活化 Michael 加成反应91.2.5 伯-仲二胺催化的 Michael 加成反应 121.3 论文的研究工作.......................................................................................................................... 141.4 参考文献...................................................................................................................................... 15第二章 理论基础 ................................................................................................................................. 202.1 量子化学...................................................................................................................................... 202.2 密度泛函理论.............................................................................................................................. 202.2.1 基本原理............................................................................................................................... 202.2.2 B3LYP 理论222.3 过渡态理论与内禀反应坐标理论..........................................................