The iron(III) anionic complex based on a pyruvic acid thiosemicarbazone ligand with the lithium cation Li[Fe(thpy)]·3HO (1) has been synthesized and characterized by FTIR spectroscopy, powder and single crystal X-ray diffraction, direct current magnetic susceptibility measurements, and Fe Mössbauer spectroscopy. Moreover, the molecular structure of the [Fe(thpy)] anion has been determined for the first time. The [Fe(thpy)] units in the triclinic 1̄ lattice of 1 are assembled into layers parallel to the plane.
View Article and Find Full Text PDFA potassium salt of the NSO-coordination Fe(III) anion K[Fe(5Cl-thsa)] () (5Cl-thsa - 5-chlorosalicylaldehyde thiosemicarbazone) is synthesized and characterized structurally and magnetically over a wide temperature range. Two polymorphs of salt characterized by the common 2D polymer nature and assigned to the same orthorhombic space group have been identified. The molecular structure of the minor polymorph of was solved and refined at 100, 250, and 300 K is shown to correspond to the LS configuration.
View Article and Find Full Text PDFThe iron(iii) complex [Fe(Hsemsal)(semsal)]·3H2O (1) (H2semsal - salicylaldehyde semicarbazone) has been synthesized and characterized by powder and single crystal X-ray diffraction, and magnetic susceptibility measurements. Crystal structure analysis showed that the complex forms neat stacks stabilized by hydrogen-bonding through water molecules and π-π interactions between phenolate rings of ligands. The complex does not exhibit spin-crossover phenomena and remains in the high-spin state down to 2 K.
View Article and Find Full Text PDFThe DFT calculations of the spin crossover complex [FeIII(Sal2-trien)]+ (1) with the following classification of conformers of 1 were performed. The study shows that rearrangements of ethylene group orientation in a coordinated ligand lead to the stabilization of the high-spin or low-spin iron(iii) state.
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