Molecular and electronic structures of new iron complexes containing N,S-coordinated o-iminothionebenzosemiquinonate(1-) π radical ligands: An experimental and density functional theoretical study

► Mono- and dinuclear iron complexes with ligands containing two o-aminothiophenolate moieties are reported. ► Ligand redox noninnocence. ► The o-iminothiophenolate(2-) and o-iminothiobenzosemiquinonate(1-) oxidation levels are chemically readily accessible. ► Electronic structures of the complexes are spectroscopically elucidated.