Magnetic Exchange through the Dianionic Hexaazatrinaphthylene (HATNA) Ligand in [{HATNA(Fe(II)Cl2)3}2−] Containing Fe(II) S=2 Trianglesстатья
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Аннотация:Herein, a new method for the preparation of anionic hexaazatrinaphthylene (HATNA) coordination complexes was developed. The reduced HATNA coordinated three FeIICl2 units for the formation of (CV+)2[{HATNA(FeIICl2)3}2−]⋅3.5C6H4Cl2 (1) (CV+ is a cationic form of crystal violet). The FeII atoms had a high S=2 spin state and were arranged in nearly equilateral triangles at a distance of approximately 7 Å. The χMT value of 1 was 9.70 emu⋅K/mol at 300 K, exceeding the calculated spin‐only value of three independent high‐spin FeII centers (S=2) (9.00 emu⋅K/mol). A strong antiferromagnetic exchange was observed between FeII atoms through the diamagnetic HATNA units since Weiss temperature is −98 K. Magnetic behavior of 1 was modelled by PHI package obtaining the exchange interaction constant J=−4.6 1/cm and zero‐field splitting parameter D=5.6 1/cm at g=2.23. Arrangement of magnetic centers in the equilateral triangles supposes that some degree of spin frustration exists in 1. Crystal structures of two phases of pristine HATNA molecule are also reported.