Field-induced single-ion magnet based on a quasi-octahedral Co(ii) complex with mixed sulfur–oxygen coordination environment†,10.1039/D1DT02413B

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Field-induced single-ion magnet based on a quasi-octahedral Co(ii) complex with mixed sulfur–oxygen coordination environment†

D. V. Korchagin,E. A. Yureva,G. V. Shilov,A. V. Akimov,E. Ya. Misochko,R. B. Morgunov,K. V. Zakharov,T. Lohmiller,K. Holldack,S. M. Aldoshin

Dalton Transactions Pub Date : 09/07/2021 00:00:00 , DOI:10.1039/D1DT02413B

Abstract

Synthesis and characterization of structure and magnetic properties of the quasi-octahedral complex (pipH₂)[Co(TDA)₂] 2H₂O (I), (pipH₂²⁺ = piperazine dication, TDA²⁻ = thiodiacetic anion) are described. X-ray diffraction studies reveal the first coordination sphere of the Co(II) ion, consisting of two chelating tridentate TDA ligands with a mixed sulfur–oxygen strongly elongated octahedral coordination environment. SQUID magnetometry, frequency-domain Fourier-transform (FD-FT) THz-EPR spectroscopy, and high-level ab initio SA-CASSCF/NEVPT2 quantum chemical calculations reveal a strong “easy-plane” type magnetic anisotropy (D ≈ +54 cm⁻¹) of complex I. The complex shows field-induced slow relaxation of magnetization at an applied DC field of 1000 Oe.