Open AccessExperimental and numerical analysis of magnetic susceptibility of the tetranuclear heterometallic SMM complexes [Me2 IIFe2 III(L)4(OH)2⋅EtOH)2⋅(Et2O)2], Me = Co, Ni with dicubane structure
Author(s) -
Denis V. Starichenko,
Yu. N. Shvachko,
A. O. Anokhin,
А. Р. Кузнецов
Publication year - 2019
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1389/1/012020
Subject(s) - superexchange , isostructural , ferromagnetism , crystallography , chemistry , magnetic susceptibility , coupling (piping) , hexa , condensed matter physics , physics , materials science , crystal structure , metallurgy
Magnetic susceptibilities of the two isostructural heterometallic complexes, [Me 2 II Fe 2 III (L) 4 (OH) 2 ,(EtOH) 2 ,(Et 2 O) 2 ], Me = Co, Ni, with triketonate ligands L = dianion of 1,1,1,7,7,7-hexa-fluoroheptane-2,4,6-trione, were studied experimentally and theoretically. Extended theoretical analysis included a phenomenological approach as well as quantum calculations in several numerical schemes. Magnetic ground states of Co 2 II Fe 2 III (L) 4 and Ni 2 II Fe 2 III (L) 4 complexes were resolved as an interplay of two intrinsic superexchange interactions with the constants J FeFe and J CoFe / J NiFe . The first system was described by two non interacting AFM-coupled pairs Co-Fe with J CoFe = - 4.2 cm −1 and zero-field splitting parameter D = -0.15 cm −1 . The second one revealed the ferromagnetic coupling between the AFM dimers, J NiFe = -12.1 cm −1 , J FeFe = 1.3 cm −1 and D = -0.5 cm −1 .