2024
DOI: 10.1021/acs.accounts.3c00664
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Dispersion Control over Molecule Cohesion: Exploiting and Dissecting the Tipping Power of Aromatic Rings

Ricardo A. Mata,
Tlektes Zhanabekova,
Daniel A. Obenchain
et al.

Abstract: Metrics & MoreArticle Recommendations * sı Supporting Information CONSPECTUS:We have learned over the past years how London dispersion forces can be effectively used to influence or even qualitatively tip the structure of aggregates and the conformation of single molecules. This happens despite the fact that single dispersion contacts are much weaker than competing polar forces. It is a classical case of strength by numbers, with the importance of London dispersion forces scaling with the system size. Knowledg… Show more

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Cited by 2 publications
(1 citation statement)
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“…London dispersion forces become particularly important when the primary bond is weaker than typical conventional hydrogen bonds, such as those between O-H• • •N and O-H• • •O motifs [1]. In addition, secondary interactions such as non-conventional O-H• • •π hydrogen bonds and even weaker C-H• • •π contacts often compete effectively with conventional hydrogen bonds in aromatic molecular systems [2,3]. The complex interplay between London dispersion, electrostatic forces, and weak donor-acceptor interactions represents a significant theoretical challenge for predictive ab initio methods targeting realistic supramolecular assemblies.…”
Section: Introductionmentioning
confidence: 99%
“…London dispersion forces become particularly important when the primary bond is weaker than typical conventional hydrogen bonds, such as those between O-H• • •N and O-H• • •O motifs [1]. In addition, secondary interactions such as non-conventional O-H• • •π hydrogen bonds and even weaker C-H• • •π contacts often compete effectively with conventional hydrogen bonds in aromatic molecular systems [2,3]. The complex interplay between London dispersion, electrostatic forces, and weak donor-acceptor interactions represents a significant theoretical challenge for predictive ab initio methods targeting realistic supramolecular assemblies.…”
Section: Introductionmentioning
confidence: 99%