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Experimental and Computational Evidence for “Double Pancake Bonds”: The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ(2),3λ(2)-dithia-2,4,6-triazines
[Image: see text] Crystal structures are reported for bicyclic 3-CF(3)C(6)H(4)CN(5)S(3) and monocyclic 3-CF(3)C(6)H(4)CN(3)S(2), the latter of which is strongly dimerized in a cis-cofacial geometry [3-CF(3)C(6)H(4)CN(3)S(2)](2). The title compounds have previously been characterized in solution by N...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644306/ https://www.ncbi.nlm.nih.gov/pubmed/31458400 http://dx.doi.org/10.1021/acsomega.8b03211 |