التفاصيل البيبلوغرافية
| العنوان: |
Unexpected reactivity of 'GaI' towards N,N′-diaryl-β-diketiminate tin(II) chloride: Synthesis, X-ray diffraction analysis and DFT studies |
| المؤلفون: |
Marisol Ibarra-Rodríguez, Víctor M. Jiménez-Pérez, Blanca M. Muñoz-Flores, Noemi Waksman, Rosalba Ramírez, Mario Sánchez, Iran F. Hernández-Ahuactzi |
| المصدر: |
Arabian Journal of Chemistry, Vol 12, Iss 8, Pp 3231-3235 (2019) |
| بيانات النشر: |
Elsevier, 2019. |
| سنة النشر: |
2019 |
| المجموعة: |
LCC:Chemistry |
| مصطلحات موضوعية: |
Chemistry, QD1-999 |
| الوصف: |
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. Keywords: Transhalogenation reaction, “GaI”, β-Diketiminate, X-ray, DFT |
| نوع الوثيقة: |
article |
| وصف الملف: |
electronic resource |
| اللغة: |
English |
| تدمد: |
1878-5352 |
| Relation: |
http://www.sciencedirect.com/science/article/pii/S1878535215002701; https://doaj.org/toc/1878-5352 |
| DOI: |
10.1016/j.arabjc.2015.08.030 |
| URL الوصول: |
https://doaj.org/article/62989abfe6d14178b0a12184c1cb3be1 |
| رقم الانضمام: |
edsdoj.62989abfe6d14178b0a12184c1cb3be1 |
| قاعدة البيانات: |
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