Single-Crystal Structure Analysis of Three Novel Iron(II) Coordination Polymers with Bridging 1,3,5-Tris((1H-1,2,4-triazol-1-yl)methyl)benzene

Abstract

Three novel iron(II) coordination polymers, namely [Fe(H2O)2(ttmb)2](ClO4)2·4H2O (1), [Fe(H2O)2(ttmb)2](BF4)2·4H2O (2) and [Fe(NCS)2(ttmb)2] (3), were synthesized with the linker 1,3,5-tris((1H-1,2,4-triazol-1-yl)methyl)benzene (ttmb). The single-crystal structures show that all three compounds form a double-chain structure with the adjacent iron atoms being bridged by two ttmb linkers. The iron(II) ions are octahedrally surrounded by four N4 donor atoms from the 1,2,4-triazol-1-yl groups of four different ttmb linkers which form an equatorial plane and two trans-coordinated aqua ligands in 1 and 2 or isothiocyanato ligands in 3 in the axial positions. In view of the neutral bridging ttmb linker, there is a non-coordinated counter-anion in 1 and 2 (ClO4 and BF4, respectively), and a coordinated NCS anion in 3. Compounds 1 and 2 are isostructural. Interestingly, the ttmb linker only utilizes two of its three potentially coordinating triazole groups. All iron(II) coordination networks are colorless or have a light-yellow color, being indicative of the high-spin state.