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...
| Autores principales: | , , , , , , |
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| Formato: | Artículo |
| Lenguaje: | inglés |
| Publicado: |
2015
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| Acceso en línea: | http://eprints.uanl.mx/14957/1/128.pdf |
| _version_ | 1824414204494348288 |
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| author | Ibarra Rodríguez, Marisol Jiménez Pérez, Víctor Manuel Muñoz Flores, Blanca M. Waksman Minsky, Noemí Herminia Ramírez, Rosalba Sánchez, Mario Hernández Ahuactzi, Iran F. |
| author_facet | Ibarra Rodríguez, Marisol Jiménez Pérez, Víctor Manuel Muñoz Flores, Blanca M. Waksman Minsky, Noemí Herminia Ramírez, Rosalba Sánchez, Mario Hernández Ahuactzi, Iran F. |
| author_sort | Ibarra Rodríguez, Marisol |
| collection | Repositorio Institucional |
| description | 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. |
| format | Article |
| id | eprints-14957 |
| institution | UANL |
| language | English |
| publishDate | 2015 |
| record_format | eprints |
| spelling | eprints-149572024-12-10T16:12:25Z http://eprints.uanl.mx/14957/ Unexpected reactivity of “GaI” towards N,N′-diaryl-β-diketiminate tin(II) chloride: Synthesis, X-ray diffraction analysis and DFT studies Ibarra Rodríguez, Marisol Jiménez Pérez, Víctor Manuel Muñoz Flores, Blanca M. Waksman Minsky, Noemí Herminia Ramírez, Rosalba Sánchez, Mario Hernández Ahuactzi, Iran F. 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. 2015 Article PeerReviewed text en cc_by_nc_nd http://eprints.uanl.mx/14957/1/128.pdf http://eprints.uanl.mx/14957/1.haspreviewThumbnailVersion/128.pdf Ibarra Rodríguez, Marisol y Jiménez Pérez, Víctor Manuel 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 http://doi.org/10.1016/j.arabjc.2015.08.030 doi:10.1016/j.arabjc.2015.08.030 |
| spellingShingle | Ibarra Rodríguez, Marisol Jiménez Pérez, Víctor Manuel Muñoz Flores, Blanca M. Waksman Minsky, Noemí Herminia Ramírez, Rosalba Sánchez, Mario Hernández Ahuactzi, Iran F. Unexpected reactivity of “GaI” towards N,N′-diaryl-β-diketiminate tin(II) chloride: Synthesis, X-ray diffraction analysis and DFT studies |
| thumbnail | https://rediab.uanl.mx/themes/sandal5/images/online.png |
| title | Unexpected reactivity of “GaI” towards N,N′-diaryl-β-diketiminate tin(II) chloride: Synthesis, X-ray diffraction analysis and DFT studies |
| title_full | Unexpected reactivity of “GaI” towards N,N′-diaryl-β-diketiminate tin(II) chloride: Synthesis, X-ray diffraction analysis and DFT studies |
| title_fullStr | Unexpected reactivity of “GaI” towards N,N′-diaryl-β-diketiminate tin(II) chloride: Synthesis, X-ray diffraction analysis and DFT studies |
| title_full_unstemmed | Unexpected reactivity of “GaI” towards N,N′-diaryl-β-diketiminate tin(II) chloride: Synthesis, X-ray diffraction analysis and DFT studies |
| title_short | Unexpected reactivity of “GaI” towards N,N′-diaryl-β-diketiminate tin(II) chloride: Synthesis, X-ray diffraction analysis and DFT studies |
| title_sort | unexpected reactivity of gai towards n n diaryl β diketiminate tin ii chloride synthesis x ray diffraction analysis and dft studies |
| url | http://eprints.uanl.mx/14957/1/128.pdf |
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