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

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...

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Bibliographic Details
Main Authors: Ibarra Rodríguez, Marisol, Jiménez Pérez, Víctor Manuel, Muñoz Flores, Blanca M., Waksman Minsky, Noemí Herminia, Ramírez, Rosalba, Sánchez, Mario, Hernández Ahuactzi, Iran F.
Format: Article
Language:English
Published: 2015
Online Access:http://eprints.uanl.mx/14957/1/128.pdf
Description
Summary: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.

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