A joint computational and experimental study of a novel dioxomolybdenum(VI) complex bearing chiral N,N-dimethyllactamide ligand
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Scholar |
Otros documentos de la autoría: Andres, Juan; Ronil Sensato, Fabricio; Bezerra Cass, Quezia; Rebelo Lopes, Bianca; Campos Lourenço, Tiago; Zukerman-Schpector, Julio; Tiekink, Edward R.T.; Longo, Elson
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http://dx.doi.org/10.1016/j.ica.2011.04.022 |
Metadatos
Título
A joint computational and experimental study of a novel dioxomolybdenum(VI) complex bearing chiral N,N-dimethyllactamide ligandAutoría
Fecha de publicación
2011Editor
ElsevierISSN
0020-1693Cita bibliográfica
Fabricio Ronil Sensato, Quezia Bezerra Cass, Bianca Rebelo Lopes, Tiago Campos Lourenço, Julio Zukerman-Schpector, Edward R.T. Tiekink, Elson Longo, Juan Andrés, A joint computational and experimental study of a novel dioxomolybdenum(VI) complex bearing chiral N,N-dimethyllactamide ligand, Inorganica Chimica Acta, Volume 375, Issue 1, 1 September 2011, Pages 41-46, ISSN 0020-1693, 10.1016/j.ica.2011.04.022Inorganica Chimica Acta, 2011, September Vol. 375, no. 1
Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
http://www.sciencedirect.com/science/article/pii/S0020169311003793Versión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Resumen
A new cis-dioxomolybdenum complex MoO2(DMLA)2 (DMLA = N,N-dimethyllactamide) has been synthesized and characterized by X-ray crystallography, H NMR and IR spectroscopies and electronic structure calculations at DFT/B3LYP ... [+]
A new cis-dioxomolybdenum complex MoO2(DMLA)2 (DMLA = N,N-dimethyllactamide) has been synthesized and characterized by X-ray crystallography, H NMR and IR spectroscopies and electronic structure calculations at DFT/B3LYP level. This compound (chemical formula C10H20MoO6N2) crystallizes in the orthorhombic space group P212121 with Z = 4, a = 6.9357(2) Ǻ, b = 11.8761(4) Ǻ, c = 17.7251(5), V = 1460.00(8) Ǻ3 and renders a slightly distorted octahedral structure with two long Mo–O bonds (2.253(3) Ǻ and 2.257(3) Ǻ) trans to each of the Modouble bond; length as m-dashO groups and with two short Mo–O bonds of 1.942(3)4 Ǻ cis to them. The Modouble bond; length as m-dashO bond length are 1.715(3) and 1.704(3) Ǻ). Each lactamide ligand is bidentate; they are coordinated in their deprotonated form with the carbonyl oxygen occupying a position trans to the Modouble bond; length as m-dashO moiety while the deprotonated hydroxyl oxygen is located cis to them. Structural characterization is complemented by DFT/B3LYP calculations. [-]
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