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Hydrogen bond design principles
Wiley Interdisciplinary Reviews: Computational Molecular Science ( IF 11.4 ) Pub Date : 2020-05-16 , DOI: 10.1002/wcms.1477
Lucas J. Karas 1 , Chia‐Hua Wu 1 , Ranjita Das 1 , Judy I‐Chia Wu 1
Affiliation  

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, π‐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 (CH…O, OH…π, 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.

中文翻译:

氢键设计原理

氢键键合原理是超分子设计的核心。本文概述了将分子结构与氢键强度相关的讨论,重点介绍了以下对氢键的电子效应:电负性,空间效应,静电效应,π共轭和网络协同性。历史发展以及实验和计算的努力催生了氢键概念的诞生,非经典氢键(CH …O,OH …π,二氢键)的发现以及氢键的提出概述了设计原理(例如,二次静电相互作用,共振辅助氢键和芳香性效应)。介绍了氢键设计原理的应用。
更新日期:2020-05-16
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