Amine adduct with tin (II) chloride: Synthesis, molecular structure characterization, and DFT computational studies
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 it...
| Autores principales: | , , , , , |
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| Formato: | Artículo |
| Lenguaje: | inglés |
| Publicado: |
Elsevier
2019
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| Materias: | |
| Acceso en línea: | http://eprints.uanl.mx/20149/1/1-s2.0-S187853521630243X-main.pdf |
| _version_ | 1824415764821573632 |
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| author | Ibarra Rodríguez, Marisol Muñoz Flores, Blanca M. Rasika Dias, H.V. Hernández Ahuactzi, Iran F. Sánchez, Mario Jiménez Pérez, Víctor Manuel |
| author_facet | Ibarra Rodríguez, Marisol Muñoz Flores, Blanca M. Rasika Dias, H.V. Hernández Ahuactzi, Iran F. Sánchez, Mario Jiménez Pérez, Víctor Manuel |
| author_sort | Ibarra Rodríguez, Marisol |
| collection | Repositorio Institucional |
| description | 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. |
| format | Article |
| id | eprints-20149 |
| institution | UANL |
| language | English |
| publishDate | 2019 |
| publisher | Elsevier |
| record_format | eprints |
| spelling | eprints-201492024-12-10T16:09:13Z http://eprints.uanl.mx/20149/ Amine adduct with tin (II) chloride: Synthesis, molecular structure characterization, and DFT computational studies Ibarra Rodríguez, Marisol Muñoz Flores, Blanca M. Rasika Dias, H.V. Hernández Ahuactzi, Iran F. Sánchez, Mario Jiménez Pérez, Víctor Manuel QD Química 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. Elsevier 2019 Article PeerReviewed text en cc_by_nc_nd http://eprints.uanl.mx/20149/1/1-s2.0-S187853521630243X-main.pdf http://eprints.uanl.mx/20149/1.haspreviewThumbnailVersion/1-s2.0-S187853521630243X-main.pdf 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 Manuel (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 http://doi.org/10.1016/j.arabjc.2016.12.006 doi:10.1016/j.arabjc.2016.12.006 |
| spellingShingle | QD Química Ibarra Rodríguez, Marisol Muñoz Flores, Blanca M. Rasika Dias, H.V. Hernández Ahuactzi, Iran F. Sánchez, Mario Jiménez Pérez, Víctor Manuel Amine adduct with tin (II) chloride: Synthesis, molecular structure characterization, and DFT computational studies |
| thumbnail | https://rediab.uanl.mx/themes/sandal5/images/online.png |
| title | Amine adduct with tin (II) chloride: Synthesis, molecular structure characterization, and DFT computational studies |
| title_full | Amine adduct with tin (II) chloride: Synthesis, molecular structure characterization, and DFT computational studies |
| title_fullStr | Amine adduct with tin (II) chloride: Synthesis, molecular structure characterization, and DFT computational studies |
| title_full_unstemmed | Amine adduct with tin (II) chloride: Synthesis, molecular structure characterization, and DFT computational studies |
| title_short | Amine adduct with tin (II) chloride: Synthesis, molecular structure characterization, and DFT computational studies |
| title_sort | amine adduct with tin ii chloride synthesis molecular structure characterization and dft computational studies |
| topic | QD Química |
| url | http://eprints.uanl.mx/20149/1/1-s2.0-S187853521630243X-main.pdf |
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