大学化学 >> 2020, Vol. 35 >> Issue (7): 88-94.doi: 10.3866/PKU.DXHX201908041

所属专题: 有机化学课程与实验教学

知识介绍 上一篇    下一篇

关于反馈键理论在小分子活化中的应用的讨论

黄聪聪, 林莉莉, 李苏华, 张利(), 苏成勇   

  • 收稿日期:2019-08-28 录用日期:2019-11-05 发布日期:2019-11-18
  • 通讯作者: 张利 E-mail:zhli99@mail.sysu.edu.cn
  • 基金资助:
    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

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

Congcong Huang, Lili Lin, Suhua Li, Li Zhang(), Chengyong Su   

  • Received:2019-08-28 Accepted:2019-11-05 Published:2019-11-18
  • Contact: Li Zhang E-mail:zhli99@mail.sysu.edu.cn

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。

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

Abstract:

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.

Key words: Organometallic chemistry of the transition metals, Back Bonding Theory, Small molecule activation, Bond dissociation energy, Frontier orbitals

MSC2000: 

  • G64