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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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Detalles Bibliográficos
Autor principal: Boeré, René T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
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

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