Hydrogen bond design principles
Hydrogen bond design principles
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DOI：
10.1002/wcms.1477
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发表时间：
2020-05-16
影响因子：
11.4
通讯作者：
Wu, Judy I-Chia
中科院分区：
文献类型：
--
作者：
Karas, Lucas J.;Wu, Chia-Hua;Wu, Judy I-Chia
氢键原理是超分子设计的核心。本概述讨论了分子结构与氢键强度的关系，重点介绍了氢键的以下电子效应：电负性、空间效应、静电效应、π-共轭和网络协同性。概述了氢键概念诞生、非经典氢键（C-H 水平省略 O、O-H 水平省略 pi、二氢键）的发现以及氢键设计原理（例如二次静电相互作用、共振辅助氢键和芳香效应）的提出的历史发展以及实验和计算工作。介绍了氢键设计原理的应用。本文分类为：结构与机理 > 分子结构结构与机理 > 反应机理与催化
Hydrogen bonding principles are at the core of supramolecular design. This overview features a discussion relating molecular structure to hydrogen bond strengths, highlighting the following electronic effects on hydrogen bonding: electronegativity, steric effects, electrostatic effects, pi-conjugation, and network cooperativity. Historical developments, along with experimental and computational efforts, leading up to the birth of the hydrogen bond concept, the discovery of nonclassical hydrogen bonds (C-H horizontal ellipsis O, O-H horizontal ellipsis pi, dihydrogen bonding), and the proposal of hydrogen bond design principles (e.g., secondary electrostatic interactions, resonance-assisted hydrogen bonding, and aromaticity effects) are outlined. Applications of hydrogen bond design principles are presented.This article is categorized under:Structure and Mechanism > Molecular StructuresStructure and Mechanism > Reaction Mechanisms and Catalysis