D. S. Yambulatov, S. A. Nikolaevskii, M. A. Shmelev, K. A. Babeshkin, D. V. Korchagin, N. N. Efimov, A. S. Goloveshkin, P. A. Petrov, M. A. Kiskin, M. N. Sokolov, I. L. Eremenko, “Heterometallic Coii-Lii carboxylate complexes with N-heterocyclic carbene, triphenylphosphine and pyridine: a comparative study of magnetic properties”, Mendeleev Commun., 2021, Volume 31, Issue 5,Pages <nobr>624

This article is cited in 26 papers

Communications

Heterometallic Coii-Lii carboxylate complexes with N-heterocyclic carbene, triphenylphosphine and pyridine: a comparative study of magnetic properties

D. S. Yambulatov^a, S. A. Nikolaevskii^a, M. A. Shmelev^a, K. A. Babeshkin^a, D. V. Korchagin^b, N. N. Efimov^a, A. S. Goloveshkin^c, P. A. Petrov^d, M. A. Kiskin^a, M. N. Sokolov^d, I. L. Eremenko^a

^a N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
^b Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow Region, Russian Federation
^c A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Moscow, Russian Federation
^d A.V. Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Novosibirsk, Russian Federation

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.

Keywords: Ab initio calculations, cobalt(ii), easy-plane magnetic anisotropy, heterometallic carboxylate complexes, N-heterocyclic carbenes, single molecule magnet.

Language: English

DOI: 10.1016/j.mencom.2021.09.011

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