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 in | Wiley interdisciplinary reviews. Computational molecular science Vol. 10; no. 6 |
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Main Authors | , , , |
Format | Journal Article |
Language | English |
Published |
United States
01.11.2020
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Online Access | Get more information |
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Abstract | 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. |
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AbstractList | 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. |
Author | Das, Ranjita Wu, Chia-Hua Karas, Lucas J Wu, Judy I-Chia |
Author_xml | – sequence: 1 givenname: Lucas J orcidid: 0000-0001-7970-119X surname: Karas fullname: Karas, Lucas J organization: Department of Chemistry, University of Houston, Houston, TX – sequence: 2 givenname: Chia-Hua orcidid: 0000-0001-6850-3024 surname: Wu fullname: Wu, Chia-Hua organization: Department of Chemistry, University of Houston, Houston, TX – sequence: 3 givenname: Ranjita orcidid: 0000-0001-9104-0275 surname: Das fullname: Das, Ranjita organization: Department of Chemistry, University of Houston, Houston, TX – sequence: 4 givenname: Judy I-Chia orcidid: 0000-0003-0590-5290 surname: Wu fullname: Wu, Judy I-Chia organization: Department of Chemistry, University of Houston, Houston, TX |
BackLink | https://www.ncbi.nlm.nih.gov/pubmed/33936251$$D View this record in MEDLINE/PubMed |
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