Unexpected reactivity of “GaI” towards N,N′-diaryl-β-diketiminate tin(II) chloride: Synthesis, X-ray diffraction analysis and DFT studies

Ibarra Rodríguez, Marisol y Jiménez Pérez, Víctor M. y Muñoz Flores, Blanca M. y Waksman Minsky, Noemí Herminia y Ramírez, Rosalba y Sánchez, Mario y Hernández Ahuactzi, Iran F. (2015) Unexpected reactivity of “GaI” towards N,N′-diaryl-β-diketiminate tin(II) chloride: Synthesis, X-ray diffraction analysis and DFT studies. Arabian Journal of Chemistry. ISSN 18785352

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Resumen

Reaction of the [HC(CMeNAr)2]SnCl (Ar = 2,4,6-Me3C6H2) with ‘‘GaI” in THF provided an unexpected transhalogenation reaction product [HC(CMeNAr)2]SnI. The crystal structure shows a tin(II) ion with a distorted tetrahedral pyramidal geometry. Theoretical calculations, using density functional theory (B3LYP), suggest the probable reaction mechanism for transhalogenation. The activation energy for moving from reactant ([HC(CMeNAr)2]SnCl to product [HC (CMeNAr)2]SnI) is only 10.2 kcal/mol. The chloride ion is displaced by the iodine ion, probably by the help of the gallium atom when it is coordinated to the chlorine atom.

Tipo de elemento: Article
Palabras claves no controlados: Transhalogenation reaction, ‘‘GaI”, b-Diketiminate, X-ray, DFT
Divisiones: Ciencias Químicas
Medicina
Usuario depositante: Editor Repositorio
Creadores:
CreadorEmailORCID
Ibarra Rodríguez, MarisolNO ESPECIFICADONO ESPECIFICADO
Jiménez Pérez, Víctor M.vjimenez@fcq.uanl.mxNO ESPECIFICADO
Muñoz Flores, Blanca M.NO ESPECIFICADONO ESPECIFICADO
Waksman Minsky, Noemí HerminiaNO ESPECIFICADONO ESPECIFICADO
Ramírez, RosalbaNO ESPECIFICADONO ESPECIFICADO
Sánchez, MarioNO ESPECIFICADONO ESPECIFICADO
Hernández Ahuactzi, Iran F.NO ESPECIFICADONO ESPECIFICADO
Fecha del depósito: 23 Mayo 2019 15:25
Última modificación: 12 Jun 2020 16:58
URI: http://eprints.uanl.mx/id/eprint/14957

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