大学化学 >> 2024, Vol. 39 >> Issue (8): 395-402.doi: 10.3866/PKU.DXHX202401056

未来化学家 上一篇    下一篇

关于铬族元素双原子基元中六重键作用的讨论

田林翰, 芦昌盛   

  1. 南京大学化学化工学院, 南京 210093
  • 收稿日期:2024-01-19 修回日期:2024-03-25 发布日期:2024-08-08
  • 通讯作者: 芦昌盛 E-mail:luchsh@nju.edu.cn
  • 基金资助:
    “101计划”基础化学实验课程虚拟教研室项目

Discussion on Sextuple Bonding in Diatomic Motifs of Chromium Family Elements

Linhan Tian, Changsheng Lu   

  1. School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China
  • Received:2024-01-19 Revised:2024-03-25 Published:2024-08-08
  • Contact: Changsheng Lu E-mail:luchsh@nju.edu.cn

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摘要： 铬族元素的Cr2、Mo2、W2基团具有相对稳定性，科学家对此做了实验验证和理论计算，试图找出原因。本文梳理了相关研究脉络及最新进展，从“它们的成键方式如何？”以及“可以怎样被进一步稳定？”两个问题出发，对铬族元素中的双原子基团六重键作用进行了分析、归纳和讨论。作者认为，Cr2、Mo2、W2基团的不稳定性来源于两原子间密集电子的斥力；因此，各种稳定该基团的方法本质上都是从减小电子密度、解决电子斥力入手。

关键词: 金属多重键, 铬族元素, σ-空穴

Abstract: Numerous experimental and theoretical studies have been conducted to explore the bonding models and relative stability of Cr2, Mo2, W2 groups within chromium family. This paper reviews the current research trajectory and recent advancements, specially focusing on their bonding configurations and strategies for further stabilization. The analysis suggests that the instability of Cr2, Mo2, W2 groups results from the electron repulsion in tightly packed electrons between the two individual atoms. Thus, approaches to stabilize these molecules fundamentally aim to reduce electron density and mitigate electron-electron repulsion.

Key words: Metal multiple bond, Chromium family elements, σ-hole