Structural Study, Vibrational, Optical, Thermal Properties and Hirshfeld Surface Analysis of a New Iron (III) Complex: FeCl4(C5N2H6)(C5N2H5)

Amal Arouri; Rihab Dridi; Riadh Kefi; Mohamed Faouzi Zid

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Structural Study, Vibrational, Optical, Thermal Properties and Hirshfeld Surface Analysis of a New Iron (III) Complex: FeCl4(C5N2H6)(C5N2H5)

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The title compound, FeCl4(C5N2H6)(C5N2H5) consists of two [(C5N2H6) (C5N2H₅)]+ organic cations and [FeCl₄]- anion. The geometry of the iron ion is tetrahedral, formed by four chlorine atoms. The complex was characterized by single crystal X-ray diffraction, Fourier Transform Infrared spectroscopy, thermal analysis and UV-Visible spectroscopy. Hirshfeld surface analysis was also used for understanding the intermolecular interactions in the crystal packing. Single-crystal X-ray diffraction analysis indicates that this complex crystallizes in the monoclinic system, P2₁/c space group with a = 7.598 (3) Å, b = 13.694 (4) Å, c = 17.105 (5) Å, β = 97.203 (6)° V = 1765.7 (10) Å3 and Z = 4. The [FeCl₄]- anion and [(C₅N₂H₆)(C₅N₂H₅)]+ cations are linked through three-dimensional hydrogen-bonding network consisting of N-H...Cl and π-π interactions. Hirshfeld surface analysis and the related 2D fingerprint plots reveal that the complex is dominated by N-H...Cl contacts.

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《晶体结构理论与应用（英文）》 |2021年第1期|P.14-26|共13页
作者
Amal Arouri; Rihab Dridi; Riadh Kefi; Mohamed Faouzi Zid;
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作者单位

Laboratory of Materials Crystal Chemistry and Applied Thermodynamics Faculty of Sciences of Tunis University of Tunis El Manar Tunis Tunisia;

Laboratory of Materials Crystal Chemistry and Applied Thermodynamics Faculty of Sciences of Tunis University of Tunis El Manar Tunis Tunisia;

Laboratory of Chemistry of Materials Faculty of Sciences of Bizerte University of Carthage Bizerte Tunisia;

Laboratory of Materials Crystal Chemistry and Applied Thermodynamics Faculty of Sciences of Tunis University of Tunis El Manar Tunis Tunisia;

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正文语种 chi
中图分类有机化学;
关键词
Complex; Crystal Structure; X-Ray Analysis; Optical Study; Thermal Analysis; Hirshfeld Surface;

机译：复合物;晶体结构;X射线分析;光学研究;热分析;HIRSHFELD表面;

Structural Study, Vibrational, Optical, Thermal Properties and Hirshfeld Surface Analysis of a New Iron (III) Complex: FeCl4(C5N2H6)(C5N2H5)

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