Synthesis, X-Ray structure analysis and computational studies of novel Bis(thiocarbamoyl) Disulfides with non-covalent S···N and S···S interactions

Saczewski, Jaroslaw; Frontera Beccaria, Antonio; Gdaniec, Maria; Brzozowski, Zdzislaw; Saczewski, Franciszek; Tabin, Piotr; Quiñonero Santiago, David; Deyà Serra, Pere Maria

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dc.contributor.author	Saczewski, Jaroslaw
dc.contributor.author	Frontera Beccaria, Antonio
dc.contributor.author	Gdaniec, Maria
dc.contributor.author	Brzozowski, Zdzislaw
dc.contributor.author	Saczewski, Franciszek
dc.contributor.author	Tabin, Piotr
dc.contributor.author	Quiñonero Santiago, David
dc.contributor.author	Deyà Serra, Pere Maria
dc.date.accessioned	2018-10-30T11:43:14Z
dc.date.available	2018-10-30T11:43:14Z
dc.identifier.uri	http://hdl.handle.net/11201/148327
dc.description.abstract	[eng] In this Letter, we describe the synthesis of several bis(thiocarbamoyl) disulfides that present interesting intramolecular S N and S S interactions. In one case, crystals suitable for X-ray characterization have been obtained. The non-covalent interactions have been studied analyzing the crystal structure and by means of high level density functional theory (DFT) calculations (RI-PB86/TZVP) using both 'atoms-in-molecules' (AIM) and natural bond orbital (NBO) analyses.
dc.format	application/pdf
dc.relation.isformatof	Versió postprint del document publicat a: https://doi.org/10.1016/j.cplett.2006.02.022
dc.relation.ispartof	Chemical Physics Letters, 2006, vol. 422, num. 1-3, p. 234-239
dc.subject.classification	54 - Química
dc.subject.other	54 - Chemistry. Crystallography. Mineralogy
dc.title	Synthesis, X-Ray structure analysis and computational studies of novel Bis(thiocarbamoyl) Disulfides with non-covalent S···N and S···S interactions
dc.type	info:eu-repo/semantics/article
dc.type	info:eu-repo/semantics/acceptedVersion
dc.date.updated	2018-10-30T11:43:14Z
dc.rights.accessRights	info:eu-repo/semantics/openAccess
dc.identifier.doi	https://doi.org/10.1016/j.cplett.2006.02.022