Structural Study, Vibrational, Optical, Thermal Properties and Hirshfeld Surface Analysis of a New Iron (III) Complex: FeCl<sub>4</sub>(C<sub>5</sub>N<sub>2</sub>H<sub>6</sub>)(C<sub>5</sub>N<sub>2</sub>H<sub>5</sub>)

• 作者: Amal Arouri Rihab Dridi Riadh Kefi Mohamed Faouzi Zid
• 来源期刊: 晶体结构理论与应用(英文)
• 学科: 化学
• 关键词: COMPLEX Crystal Structure X-Ray Analysis Optical Study Thermal Analysis Hirshfeld Surface
• 年，卷（期）: 2021,（1）
• 页码范围: 14-26
• 页数: 13页
• 分类号: O62

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.