van der Lubbe Stephanie C C, Fonseca Guerra Célia
Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081, HV, Amsterdam, The Netherlands.
Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, Einsteinweg 55, 2333 CD, Leiden, The Netherlands.
Chem Asian J. 2019 Aug 16;14(16):2760-2769. doi: 10.1002/asia.201900717. Epub 2019 Jul 19.
Hydrogen bonds are a complex interplay between different energy components, and their nature is still subject of an ongoing debate. In this minireview, we therefore provide an overview of the different perspectives on hydrogen bonding. This will be done by discussing the following individual energy components: 1) electrostatic interactions, 2) charge-transfer interactions, 3) π-resonance assistance, 4) steric repulsion, 5) cooperative effects, 6) dispersion interactions and 7) secondary electrostatic interactions. We demonstrate how these energetic factors are essential in a correct description of the hydrogen bond, and discuss several examples of systems whose energetic and geometrical features are not captured by easy-to-use predictive models.
氢键是不同能量成分之间的复杂相互作用，其本质仍是一个持续争论的话题。因此，在本微型综述中，我们概述了关于氢键的不同观点。这将通过讨论以下各个能量成分来完成：1）静电相互作用，2）电荷转移相互作用，3）π共振辅助，4）空间排斥，5）协同效应，6）色散相互作用和7）二次静电相互作用。我们展示了这些能量因素在正确描述氢键中是如何至关重要的，并讨论了一些系统的例子，其能量和几何特征无法被易于使用的预测模型所捕捉。
