关于反馈键理论在小分子活化中的应用的讨论  

Discussion on the Application of Back Bonding Theory to Small Molecule Activation

作　　者：黄聪聪 林莉莉 李苏华 张利[1] 苏成勇[1] Congcong Huang;Lili Lin;Suhua Li;Li Zhang;Chengyong Su(School of Chemistry,Sun Yat-Sen University,Guangzhou 510275,P.R.China)

机构地区：[1]中山大学化学学院,广州510275

出　　处：《大学化学》2020年第7期88-94,共7页University Chemistry

基　　金：中山大学实验室开放基金;中山大学本科教学质量工程项目。

摘　　要：小分子活化是目前的热门研究领域之一。利用过渡金属和小分子间的反馈键作用,是实现对自然界中稳定存在的二氧化碳、氮气、水和氢气等小分子的活化的一种重要策略。本文从分析过渡金属的d轨道和小分子的前线轨道的相互作用入手,对这一策略进行解读,希望可以帮助学生更好地理解在金属有机化学课程中学习到的反馈键理论。Small molecule activation has attracted much attention in recent years.It can not only facilitate a range of organic reactions,but also transform low-value reagents into high-value products.Nevertheless,it is a big challenge to activate small molecules such as carbon dioxide,dinitrogen,water and dihydrogen due to their high bond dissociation energy.One of the most important strategies for the effective small molecule activation is the application of transition metal catalysis.The key point lies in the interactions between the d orbitals of transition metal and the frontier orbitals of small molecules.This perspective will discuss the interactions between the metal d orbitals and the frontier orbitals of small molecules,and elucidate how these interactions facilitate small molecule activation.We hope that this perspective could help students to gain a better understanding of back bonding theory.

关 键 词：过渡金属有机化学 反馈键理论 小分子活化 化学键解离能 前线轨道 

分 类 号：G64[文化科学—高等教育学] O6[文化科学—教育学]