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Electrostatics does not dictate the slip-stacked arrangement of aromatic π–π interactions
Benzene dimer has long been an archetype for π-stacking. According to the Hunter–Sanders model, quadrupolar electrostatics favors an edge-to-face CH⋯π geometry but competes with London dispersion that favors cofacial π-stacking, with a compromise “slip-stacked” structure emerging as the minimum-ener...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8159364/ https://www.ncbi.nlm.nih.gov/pubmed/34094127 http://dx.doi.org/10.1039/d0sc02667k |