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

作　　者：Amal Arouri Rihab Dridi Riadh Kefi Mohamed Faouzi Zid Amal Arouri;Rihab Dridi;Riadh Kefi;Mohamed Faouzi Zid(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)

机构地区：[1]Laboratory of Materials, Crystal Chemistry and Applied Thermodynamics, Faculty of Sciences of Tunis, University of Tunis El Manar, Tunis, Tunisia [2]Laboratory of Chemistry of Materials, Faculty of Sciences of Bizerte, University of Carthage, Bizerte, Tunisia

出　　处：《Crystal Structure Theory and Applications》2021年第1期14-26,共13页晶体结构理论与应用（英文）

摘　　要：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) &#197;, b = 13.694 (4) &#197;, c = 17.105 (5) &#197;, <i>β</i><i> </i>= 97.203 (6)° V = 1765.7 (10) &#197;³ 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.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) &#197;, b = 13.694 (4) &#197;, c = 17.105 (5) &#197;, <i>β</i><i> </i>= 97.203 (6)° V = 1765.7 (10) &#197;³ 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.

关 键 词：COMPLEX Crystal Structure X-Ray Analysis Optical Study Thermal Analysis Hirshfeld Surface 

分 类 号：O62[理学—有机化学]