A New Non-centrosymmetric Microporous Fluorinated Iron Phosphate: Structural Elucidation, Spectroscopic Study and Hirshfeld Surface Analysis

doi:10.1007/s40242-016-6012-y

高等学校化学研究 ›› 2016, Vol. 32 ›› Issue (4): 519-526.doi: 10.1007/s40242-016-6012-y

A New Non-centrosymmetric Microporous Fluorinated Iron Phosphate: Structural Elucidation, Spectroscopic Study and Hirshfeld Surface Analysis

Nabaa BOUZIDIA, Besma HAMDI, Abdelhamid BEN SALAH

Laboratory of Materials Science and Environment, Faculty of Sciences of Sfax, University of Sfax, PB 1171, 3000 SFAX, Tunisia

收稿日期:2016-01-13 修回日期:2016-04-10 出版日期:2016-08-01 发布日期:2016-05-03
通讯作者: Nabaa BOUZIDIA E-mail:bouzidia.nabaa@yahoo.fr

A New Non-centrosymmetric Microporous Fluorinated Iron Phosphate: Structural Elucidation, Spectroscopic Study and Hirshfeld Surface Analysis

Nabaa BOUZIDIA, Besma HAMDI, Abdelhamid BEN SALAH

Laboratory of Materials Science and Environment, Faculty of Sciences of Sfax, University of Sfax, PB 1171, 3000 SFAX, Tunisia

Received:2016-01-13 Revised:2016-04-10 Online:2016-08-01 Published:2016-05-03
Contact: Nabaa BOUZIDIA E-mail:bouzidia.nabaa@yahoo.fr

摘要/Abstract

摘要：

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 d_nom 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.

关键词: Non-centrosymmetric structure, Iron fluorinated phosphate, Hirshfeld surface analysis

Abstract:

Key words: Non-centrosymmetric structure, Iron fluorinated phosphate, Hirshfeld surface analysis

Nabaa BOUZIDIA, Besma HAMDI, Abdelhamid BEN SALAH. A New Non-centrosymmetric Microporous Fluorinated Iron Phosphate: Structural Elucidation, Spectroscopic Study and Hirshfeld Surface Analysis[J]. 高等学校化学研究, 2016, 32(4): 519-526.

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A New Non-centrosymmetric Microporous Fluorinated Iron Phosphate: Structural Elucidation, Spectroscopic Study and Hirshfeld Surface Analysis

A New Non-centrosymmetric Microporous Fluorinated Iron Phosphate: Structural Elucidation, Spectroscopic Study and Hirshfeld Surface Analysis

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