A new bis(oxalato)ferrate(III) hybrid salt associated with guanidinium cations : Synthesis, crystal structure, magnetic properties and Hirshfeld surface analysis

• Published in: Journal of molecular structure 2022-09, Vol.1263, p.133145, Article 133145
• Main Authors: Nde, Colince, Nana, Augustin N., Kamga, Idelle N., Azam, Mohammad, Capet, Frédéric, Foulon, Michel, Nenwa, Justin
• Format: Article
• Language: English
• Subjects: Bis(oxalato)ferrate(III) complex; Catalysis; Chemical Sciences; Crystal structure; Guanidinium cation; Hirshfeld surface analysis; Magnetic properties
• ISSN: 0022-2860; 1872-8014; 0022-2860
• DOI: 10.1016/j.molstruc.2022.133145

•A novel (CH6N3)2[Fe(C2O4)2(H2O)Cl] (1) has been synthesized.•Pillars of [Fe(C2O4)2(H2O)Cl]2– anions and guanidinium cations are formed in 1.•The EPR spectrum of 1 confirms the Fe(III) oxidation state in an octahedral environment.•Compound 1 exhibits weak antiferromagnetic interactions at low temperatures.•Hirshfeld surface and fingerprint plot represent the molecular interactions. A new organic-inorganic hybrid salt (CH6N3)2[Fe(C2O4)2(H2O)Cl] (1) (CH6N3+ = guanidinium cation) has been synthesized and characterized by elemental and thermal analyses, IR spectroscopy, single-crystal X-ray diffraction, EPR, SQUID magnetometry and Hirshfeld surface analysis. The asymmetric unit of salt 1 consists of one [Fe(C2O4)2(H2O)Cl]2– complex anion and two protonated guanidine molecules 2 CH6N3+. The FeIII ion in the complex anion shows a distorted octahedral coordination environment, with four O atoms from two chelating oxalate dianions, one O atom from a water molecule and one Cl− anion. A packing diagram of 1 highlights pillars of the [Fe(C2O4)2(H2O)Cl]2– complex anions and guanidinium CH6N3+ cations along the crystallographic a axis. These ionic entities are connected via intermolecular O–H···O, N–H···O and N–H···Cl hydrogen bonds into a three-dimensional network. Investigation of the thermal behavior of the compound confirmed its anhydrous character. The EPR spectrum of 1 corresponds to the Fe(III) oxidation state in an octahedral environment. The magnetic susceptibility measurements in the 2–300 K temperature range revealed weak antiferromagnetic interactions in salt 1. Hirshfeld surface analysis has also been evaluated to reveal various intermolecular interactions in 1. A bis(oxalato)ferrate(III) salt templated by guanidinium cations was synthesized and characterized. Magnetic susceptibility measurements revealed weak antiferromagnetic interactions between the localized Fe moments at low temperatures. [Display omitted]