Heterometallic Coii-Lii carboxylate complexes with N-heterocyclic carbene,triphenylphosphine and pyridine: a comparative study of magnetic properties |
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| Institution: | 1. N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation;2. Institute for Problems of Chemical Physics, Russian Academy of Sciences, 142432 Chernogolovka, Moscow Region, Russian Federation;3. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 119991 Moscow, Russian Federation;4. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk, Russian Federation |
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| Abstract: | Heterometallic Coii-Lii compounds with N-heterocyclic carbene 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene (IMes), tri phenylphosphine (Ph3P) and pyridine (py), Co2Li2(Piv)6(IMes)2] (Piv is the anion of pivalic acid), Co2Li2(Piv)6(Ph3P)2] and Co2Li2(Fur)6(py)2] (Fur is the anion of 2-furoic acid), respectively, have been prepared and structurally characterized by X-ray crystallography. Easy-plane magnetic anisotropy in Coii complexes with pseudo-tetrahedral cores CoO3X (X = C, P and N) was revealed by measuring the magnetic properties together with quantum-chemical calculations using the SA-CASSCF/NEVPT2 approach. The field-induced slow magnetic relaxation of the complexes was mainly attributed to the Raman and direct processes. |
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| Keywords: | Ab initio calculations cobalt(ii) easy-plane magnetic anisotropy heterometallic carboxylate complexes N-heterocyclic carbenes single molecule magnet |
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