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Cooperative effects between π-hole triel and π-hole chalcogen bonds
MP2/aug-cc-pVTZ calculations have been performed on π-hole triel- and chalcogen-bonded complexes involving a heteroaromatic compound. These complexes are very stable with large interaction energy up to −47 kcal mol(−1). The sp(2)-hybridized nitrogen atom engages in a stronger π-hole bond than the sp...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9083131/ https://www.ncbi.nlm.nih.gov/pubmed/35541088 http://dx.doi.org/10.1039/c8ra04106g |