X-Ray, Crystal Structure and Solution Phase Studies of a Polymeric SrII Compound
In the crystal structure of the title polymeric compound, [C42H38N6O33Sr5.2(H2O)]n, five independent metal atoms (Sr1-Sr5) have different coordination environments. The Sr1 and Sr5 atoms are nine coordinated and feature distorted tricapped trigonal-prismatic and capped square-antiprismatic geometrie...
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| Format: | Article |
| Language: | English |
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Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR
2011-12-01
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| Series: | Iranian Journal of Chemistry & Chemical Engineering |
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| Online Access: | http://www.ijcce.ac.ir/article_6082_623eea2d7ca33b6ff02cfc39e04141e3.pdf |
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| author | Hossein Aghabozorg Najmeh Firoozi Leila Roshan Masoud Mirzaei Ardeshir Shokrollahi Roghayyeh Aghaei Ziba Aghlmandi |
| author_facet | Hossein Aghabozorg Najmeh Firoozi Leila Roshan Masoud Mirzaei Ardeshir Shokrollahi Roghayyeh Aghaei Ziba Aghlmandi |
| author_sort | Hossein Aghabozorg |
| collection | DOAJ |
| description | In the crystal structure of the title polymeric compound, [C42H38N6O33Sr5.2(H2O)]n, five independent metal atoms (Sr1-Sr5) have different coordination environments. The Sr1 and Sr5 atoms are nine coordinated and feature distorted tricapped trigonal-prismatic and capped square-antiprismatic geometries, respectively. The rest SrII atoms have eight coordination numbers. These units are connected via the carboxylate O atoms of mono- and di anionic forms of pyridine-2,6-dicarboxylic acid, (pydcH2), and bridging water molecules that resulted in the formation of polymeric layers in 3-D. In the crystal structure, non-covalent interactions consisting of hydrogen bonds (O—H···O and C—H···O), π–π [interplanar distances of 3.413(2); 3.601(2) Å] and C═O···π [O···π distances of 3.249(3); 3.275(3) Å] stacking interactions play an important roles in stabilizing the structure. The protonation constants of propane-1, 2-diamine (1, 2-pn) and pyridine-2,6-dicarboxylate ion (pydc)2–, the equilibrium constants for the pydc-1,2-pn proton transfer system and the stoichiometry and stability of this system with Sr2+ ion in aqueous solution were investigated by potentiometric pH titrations. The stoichiometry of one of the most abundant complexed species in solution was found to be the same as that of the crystalline SrII complex. |
| first_indexed | 2024-12-11T22:12:00Z |
| format | Article |
| id | doaj.art-5ddf68b6e5dd4a3880695a5ea6c90809 |
| institution | Directory Open Access Journal |
| issn | 1021-9986 1021-9986 |
| language | English |
| last_indexed | 2024-12-11T22:12:00Z |
| publishDate | 2011-12-01 |
| publisher | Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR |
| record_format | Article |
| series | Iranian Journal of Chemistry & Chemical Engineering |
| spelling | doaj.art-5ddf68b6e5dd4a3880695a5ea6c908092022-12-22T00:48:45ZengIranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry & Chemical Engineering1021-99861021-99862011-12-013041116082X-Ray, Crystal Structure and Solution Phase Studies of a Polymeric SrII CompoundHossein Aghabozorg0Najmeh Firoozi1Leila Roshan2Masoud Mirzaei3Ardeshir Shokrollahi4Roghayyeh Aghaei5Ziba Aghlmandi6Faculty of Chemistry, Islamic Azad University, North Tehran Branch, Tehran, I.R. IRANFaculty of Chemistry, Tarbiat Moallem University, Tehran, I.R. IRANFaculty of Chemistry, Tarbiat Moallem University, Tehran, I.R. IRANDepartment of Chemistry, Ferdowsi University of Mashhad, P.O. Box 91779-1436 Mashhad, I.R. IRANDepartment of Chemistry, Yasuj University, Yasuj, I.R. IRANDepartment of Chemistry, Yasuj University, Yasuj, I.R. IRANFaculty of Chemistry, Islamic Azad University, North Tehran Branch, Tehran, I.R. IRANIn the crystal structure of the title polymeric compound, [C42H38N6O33Sr5.2(H2O)]n, five independent metal atoms (Sr1-Sr5) have different coordination environments. The Sr1 and Sr5 atoms are nine coordinated and feature distorted tricapped trigonal-prismatic and capped square-antiprismatic geometries, respectively. The rest SrII atoms have eight coordination numbers. These units are connected via the carboxylate O atoms of mono- and di anionic forms of pyridine-2,6-dicarboxylic acid, (pydcH2), and bridging water molecules that resulted in the formation of polymeric layers in 3-D. In the crystal structure, non-covalent interactions consisting of hydrogen bonds (O—H···O and C—H···O), π–π [interplanar distances of 3.413(2); 3.601(2) Å] and C═O···π [O···π distances of 3.249(3); 3.275(3) Å] stacking interactions play an important roles in stabilizing the structure. The protonation constants of propane-1, 2-diamine (1, 2-pn) and pyridine-2,6-dicarboxylate ion (pydc)2–, the equilibrium constants for the pydc-1,2-pn proton transfer system and the stoichiometry and stability of this system with Sr2+ ion in aqueous solution were investigated by potentiometric pH titrations. The stoichiometry of one of the most abundant complexed species in solution was found to be the same as that of the crystalline SrII complex.http://www.ijcce.ac.ir/article_6082_623eea2d7ca33b6ff02cfc39e04141e3.pdfcrystal structuresrii complexhydrogen bondingπ–π interactionsc—h•••πand c═o•••π stacking interactions |
| spellingShingle | Hossein Aghabozorg Najmeh Firoozi Leila Roshan Masoud Mirzaei Ardeshir Shokrollahi Roghayyeh Aghaei Ziba Aghlmandi X-Ray, Crystal Structure and Solution Phase Studies of a Polymeric SrII Compound Iranian Journal of Chemistry & Chemical Engineering crystal structure srii complex hydrogen bonding π–π interactions c—h•••π and c═o•••π stacking interactions |
| title | X-Ray, Crystal Structure and Solution Phase Studies of a Polymeric SrII Compound |
| title_full | X-Ray, Crystal Structure and Solution Phase Studies of a Polymeric SrII Compound |
| title_fullStr | X-Ray, Crystal Structure and Solution Phase Studies of a Polymeric SrII Compound |
| title_full_unstemmed | X-Ray, Crystal Structure and Solution Phase Studies of a Polymeric SrII Compound |
| title_short | X-Ray, Crystal Structure and Solution Phase Studies of a Polymeric SrII Compound |
| title_sort | x ray crystal structure and solution phase studies of a polymeric srii compound |
| topic | crystal structure srii complex hydrogen bonding π–π interactions c—h•••π and c═o•••π stacking interactions |
| url | http://www.ijcce.ac.ir/article_6082_623eea2d7ca33b6ff02cfc39e04141e3.pdf |
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