Hydrogen bond design principles

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-conjugatio...

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Published inWiley interdisciplinary reviews. Computational molecular science Vol. 10; no. 6
Main Authors Karas, Lucas J, Wu, Chia-Hua, Das, Ranjita, Wu, Judy I-Chia
Format Journal Article
LanguageEnglish
Published United States 01.11.2020
Subjects
hydrogen bonding
resonance-assisted hydrogen bonding
secondary electrostatic interactions
aromaticity
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Summary: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 (C-H…O, O-H…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.
ISSN:1759-0876
DOI:10.1002/wcms.1477