Resumo

BEYER, Lothar et al. Oligonuclear complex formation of the Bisbidentate Ligand N',N',N''',N'''-Tetraethyl-N,N''- Pyridine-2,6-Dicarbonyl-Bis(thiourea) in solution. Rev. Soc. Quím. Perú [online]. 2008, vol.74, n.3, pp.163-171. ISSN 1810-634X.

With nickel(II), the potential ligand N',N',N''',N'''-tetraethyl-N,N''-pyridine-2,6- dicarbonyl-bis(thiourea), H2 [tepytu] , H2L, forms a neutral binuclear complex of the type Ni2L2. The occurrence of a complex of this constitution was found in a 75%v/v 1,4- dioxane/water mixture. A geometry optimization in the gas phase was performed by ab-initio calculations at the B3LYP/SDD level of theory. It shows that the rigid pyridine-centered binuclear complex forms a central cavity in-between the pyridine, large enough to allow intermolecular interaction.

Palavras-chave : Oligonuclear complexes; stability constants; dioxane/water; nickel; thiourea ligand.

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