On the Relationship between Hydrogen Bond Strength and the Formation Energy in Resonance-Assisted Hydrogen Bonds.
hydrogen bond
interacting quantum atoms
resonance-assisted hydrogen bond
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
10 Jul 2021
10 Jul 2021
Historique:
received:
04
06
2021
revised:
02
07
2021
accepted:
07
07
2021
entrez:
24
7
2021
pubmed:
25
7
2021
medline:
25
7
2021
Statut:
epublish
Résumé
Resonance-assisted hydrogen bonds (RAHB) are intramolecular contacts that are characterised by being particularly energetic. This fact is often attributed to the delocalisation of π electrons in the system. In the present article, we assess this thesis via the examination of the effect of electron-withdrawing and electron-donating groups, namely -F, -Cl, -Br, -CF
Identifiants
pubmed: 34299473
pii: molecules26144196
doi: 10.3390/molecules26144196
pmc: PMC8303970
pii:
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Consejo Nacional de Ciencia y Tecnología
ID : 253776
Organisme : PAPIIT/UNAM
ID : IN205118
Organisme : Ministerio de Ciencia e Innovación
ID : PGC2018-095953-B-I00
Organisme : DGTIC/UNAM
ID : LANCAD-UNAM-DGTIC-250
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