Cobalt(II) Paddle-Wheel Complex with 3,5-Di(<i>tert</i>-butyl)-4-hydroxybenzoate Bridges: DFT and ab initio Calculations, Magnetic Dilution, and Magnetic Properties
Tatiana V. Astaf’eva,
Stanislav A. Nikolaevskii,
Evgeniy N. Egorov,
Stanislav N. Melnikov,
Dmitriy S. Yambulatov,
Anna K. Matiukhina,
Marina E. Nikiforova,
Maxim A. Shmelev,
Aleksandr V. Kolchin,
Nikolay N. Efimov,
Sergey L. Veber,
Artem S. Bogomyakov,
Ekaterina N. Zorina-Tikhonova,
Igor L. Eremenko,
Mikhail A. Kiskin
Affiliations
Tatiana V. Astaf’eva
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Stanislav A. Nikolaevskii
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Evgeniy N. Egorov
Department of Physical Chemistry and Macromolecular Compounds, Chemical-Pharmaceutical Faculty, I.N. Ulianov Chuvash State University, Cheboksary 428015, Russia
Stanislav N. Melnikov
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Dmitriy S. Yambulatov
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Anna K. Matiukhina
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Marina E. Nikiforova
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Maxim A. Shmelev
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Aleksandr V. Kolchin
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Nikolay N. Efimov
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Sergey L. Veber
International Tomography Center, Siberian Branch of the Russian Academy of Sciences, Novosibirsk 630090, Russia
Artem S. Bogomyakov
International Tomography Center, Siberian Branch of the Russian Academy of Sciences, Novosibirsk 630090, Russia
Ekaterina N. Zorina-Tikhonova
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Igor L. Eremenko
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Mikhail A. Kiskin
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
A new binuclear "paddle-wheel" complex, [Co2(bhbz)4(EtOH)2]·4EtOH (1, Hbhbz-3,5-di(tert-butyl)-4-hydroxybenzoic acid); an isostructural zinc complex (2); a and magnetically diluted sample of [Zn1.93Co0.07(bhbz)4(EtOH)2]·4EtOH (3) were obtained. Molecular structures of 1 and 2 were determined by single-crystal X-ray diffraction. DFT calculations for 1 indicate strong Co-Co antiferromagnetic exchange interactions in the binuclear fragment. It was shown that when one paramagnetic ion in the binuclear molecule is replaced by a diamagnetic zinc(II) ion, the remaining cobalt(II) ion can be considered as an isolated center with magnetic anisotropy, the parameters of which are determined by ab initio calculations. Magnetic properties for samples 1 and 3 were investigated and analyzed in detail.
