FeIII in the high-spin state in dimethylammonium bis[3-ethoxysalicylaldehyde thiosemicarbazonato(2-)-κ3O2,N1,S]ferrate(III)

Acta Crystallogr C Struct Chem. 2023 Jan 1;79(Pt 1):18-24. doi: 10.1107/S2053229622011597. Epub 2023 Jan 1.

Abstract

The synthesis and crystal structure (100 K) of the title compound, [(CH3)2NH2][Fe(C10H11O2N3S)2], are reported. The asymmetric unit consists of an octahedral [FeIII(L)2]- fragment, where L2- is 3-ethoxysalicylaldehyde thiosemicarbazonate(2-), and a dimethylammonium cation. Each L2- ligand binds with the thiolate S, the imine N and the phenolate O atoms as donors, resulting in an FeIIIS2N2O2 chromophore. The ligands are orientated in two perpendicular planes, with the O and S atoms in cis positions, and mutually trans N atoms. The FeIII ion is in the high-spin state at 100 K. The variable-temperature magnetic susceptibility measurements (5-320 K) are consistent with the presence of a high-spin FeIII ion with D = 0.83 (1) cm-1 and g = 2.

Keywords: FeIII complex; crystal structure; high-spin; magnetic susceptibility; salicylaldehyde; thiosemicarbazone.

MeSH terms

  • Crystallography, X-Ray
  • Ferric Compounds* / chemistry
  • Hydrogen Bonding
  • Iron* / chemistry

Substances

  • ferrate ion
  • Ferric Compounds
  • Iron