Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

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

Version 1 : Received: 26 September 2023 / Approved: 27 September 2023 / Online: 27 September 2023 (07:17:13 CEST)

A peer-reviewed article of this Preprint also exists.

Limon, A.; Jordan, D.N.; Strothmann, T.; Cuignet, L.P.; Garcia, Y.; Janiak, C. 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. Crystals 2023, 13, 1574. Limon, A.; Jordan, D.N.; Strothmann, T.; Cuignet, L.P.; Garcia, Y.; Janiak, C. 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. Crystals 2023, 13, 1574.

Abstract

Three novel iron(II) coordination polymers, [Fe(H2O)2(ttmb)2](ClO4)2·4H2O (1), [Fe(H2O)2(ttmb)2](BF4)2·4H2O (2), [Fe(ttmb)2(NCS)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 atom 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 counter-anion in all structures; uncoordinated ClO4– and BF4–in 1 and 2 or coordinated NCS–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.

Keywords

coordination polymers; coordination networks; triazole ligand; iron(II); self-assembly; hydrogen bonds

Subject

Chemistry and Materials Science, Inorganic and Nuclear Chemistry

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