Abstract
• A novel (CH 6 N 3 ) 2 [Fe(C 2 O 4 ) 2 (H 2 O)Cl] (1) has been synthesized. • Pillars of [Fe(C 2 O 4 ) 2 (H 2 O)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 (CH 6 N 3 ) 2 [Fe(C 2 O 4 ) 2 (H 2 O)Cl] (1) (CH 6 N 3 + = 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(C 2 O 4 ) 2 (H 2 O)Cl] 2– complex anion and two protonated guanidine molecules 2 CH 6 N 3 + . The Fe III 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(C 2 O 4 ) 2 (H 2 O)Cl] 2– complex anions and guanidinium CH 6 N 3 + 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.
Published Version
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