Amine adduct with tin (II) chloride: Synthesis, molecular structure characterization, and DFT computational studies

Ibarra Rodríguez, Marisol y Muñoz Flores, Blanca M. y Rasika Dias, H.V. y Hernández Ahuactzi, Iran F. y Sánchez, Mario y Jiménez Pérez, Víctor M. (2019) Amine adduct with tin (II) chloride: Synthesis, molecular structure characterization, and DFT computational studies. Arabian journal of chemistry, 12 (8). pp. 5120-5124. ISSN 1878-5352

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Resumen

The reaction of the tetramethylethylendiamine [(CH3)2NCH2CH2N(CH3)2] with SnCl2 in toluene provided the adduct dichloro-(1,2-bis(dimethylamino)ethane-N,N0)-tin(II) with a tetracoordinate metal center and pseudo-trigonal bipyramidal geometry with a stereochemically active unshared electron pair in its vertex. This compound was characterized by IR, NMR (1H, 13C, and 119Sn) and X-ray studies. The X-ray crystal structure of tin(II) complex shows just one of these three possible isomers. The relative energies of the three different isomers, HOMO and LUMO orbitals, and NMR chemical shifts were calculated, using the density functional theory in order to determine the coordination number.

Tipo de elemento: Article
Palabras claves no controlados: Tin(II), TMEDA, X-ray, 119Sn NMR, DFT
Materias: Q Ciencia > QD Química
Divisiones: Ciencias Químicas
Usuario depositante: Editor Repositorio
Creadores:
CreadorEmailORCID
Ibarra Rodríguez, MarisolNO ESPECIFICADONO ESPECIFICADO
Muñoz Flores, Blanca M.NO ESPECIFICADONO ESPECIFICADO
Rasika Dias, H.V.NO ESPECIFICADONO ESPECIFICADO
Hernández Ahuactzi, Iran F.NO ESPECIFICADONO ESPECIFICADO
Sánchez, MarioNO ESPECIFICADONO ESPECIFICADO
Jiménez Pérez, Víctor M.vjimenez@fcq.uanl.mxNO ESPECIFICADO
Fecha del depósito: 21 Oct 2020 02:16
Última modificación: 12 Mar 2022 17:20
URI: http://eprints.uanl.mx/id/eprint/20149

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