A new non-centrosymmetric microporous fluorinated iron phosphate: Structural elucidation, spectroscopic study and Hirshfeld surface analysis
详细信息 查看全文
- 作者：Nabaa Bouzidia ; Besma Hamdi…
- 刊名：Chemical Research in Chinese Universities
- 出版年：2016
- 出版时间：August 2016
- 年：2016
- 卷：32
- 期：4
- 页码：519-526
- 全文大小：749 KB
- 刊物主题：Chemistry/Food Science, general; Analytical Chemistry; Inorganic Chemistry; Organic Chemistry; Physical Chemistry;
- 出版者：Springer Berlin Heidelberg
- ISSN：2210-3171
- 卷排序：32
文摘
The crystal structure of a new non-centrosymmetric microporous fluorinated iron phosphate, (H3O)2[Fe4(H2O)2F4(PO4)2(HPO4)2](H2O), was determined by single crystal X-ray diffraction analysis and the result reveals that it belongs to the orthorhombic system with four molecules in the unit cell(space group P212121). Thus, the complex was characterized by powder X-ray diffraction, spectroscopic techniques(Fourier transform infrared and Fourier transform Raman) and 19F MAS NMR. The elemental analysis of the sample was also carried out. The chiral inorganic sheets, which stacked along [100] showed the presence of FeF2O4 as well as FeF2O3H2O octahedra, PO4 besides HPO4 tetrahedra, hydronium ions(H3O+) and isolated water molecules. Hirshfeld surface analysis, especially dnom surface and fingerprint plots, were used for decoding the intermolecular interactions in the crystal network and the contribution of component units for the construction of the 3D architecture. From the Hirshfeld surfaces and 2D fingerprint analysis, it was found that the subtle interactions, such as H···H associating the third intense interaction of all intercontacts, provide extra stabilization in addition to the presence of the strong hydrogen bonds mentioned above.KeywordsNon-centrosymmetric structureIron fluorinated phosphateHirshfeld surface analysis