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Title

Comparison of the coordination capabilities of thiodiacetate and oxydiacetate ligands through the X-ray characterization and DFT studies of [V(O)(tda)(phen)]·4H2O and [V(O)(oda)(phen)]·1.5H2O

AuthorsÁlvarez, Lucía; Grirrane, Abdessamad; Moyano, Raquel; Álvarez, Eleuterio ; Pastor, Antonio; Galindo, Agustín
KeywordsVanadium
Thiodiacetate
Oxydiacetate
DFT
Crystal structure
Issue Date29-Sep-2010
PublisherElsevier
CitationPolyhedron 29(16): 3028-3035 (2010)
AbstractThe vanadium thiodiacetate complex [V(O)(tda)(phen)]·4H2O (1) (tda = ) was obtained through reaction of aqueous [V(O)(acac)2] with thiodiacetic acid and subsequent addition of o-phenanthroline (phen). The structures of 1 and the analogous oxydiacetate compound [V(O)(oda)(phen)]·1.5H2O (2) (oda = ) were characterized by X-ray crystallography and the geometric features of both ligands were compared in a similar environment. Additionally, both [V(O)(tda)(phen)] and [V(O)(oda)(phen)] were analyzed by theoretical calculations at the DFT level. Finally, the synthesis and X-ray characterization of the related oda–vanadium compound [V(O)(oda){(MeO)2bipy}] (3) ((MeO)2bipy = 4,4′-dimethoxy-2,2′-bipyridine) was also reported.
Description8 páginas, 9 figuras, 4 tablas, 4 esquemas.
Publisher version (URL)http://dx.doi.org/10.1016/j.poly.2010.08.015
URIhttp://hdl.handle.net/10261/37792
DOI10.1016/j.poly.2010.08.015
ISSN0277-5387
Appears in Collections:(IIQ) Artículos
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