Центральная Научная Библиотека УрО РАН

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   I-60


    Influence of pi stacking on the magnetic properties of the copper(II) complex with 6-phenyl-3-(2-pyridyl)-5-trifluoroacetylmethylidene-4,5-dihydro-1,2,4-triazine [Electronic resource] / A. M. Prokhorov, D. N. Kozhevnikov, V. L. Rusinov, O. N. Chupakhin, G. G. Aleksandrov, Yu. N. Shvachko, D. V. Starichenko, A. V. Korolev, D. V. Bukhvalov, V. V. Ustinov // Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya). - 2008. - Vol. 57, № 3. - P561-566

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: The new N,N,O-ligand 6-phenyl-3-(2-pyridyl)-5-(trifluoroacetylmethylidene)-4,5-dihydro-1,2,4-triazine (L) was synthesized, and its complex with CuII was prepared. The structure of the complex was established by X-ray diffraction. Magnetic measurements and ESR studies were carried out. Ab initio calculations of the electronic structure, exchange interactions, and the effective magnetic moment were performed. The intrastack polarization effect between the ? states of 1,2,4-triazine and the d states of copper was revealed and numerically validated

\\\\Expert2\\nbo\\Russian Chemical Bulletin\\2008, 57 (3), 561.pdf
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   R 30


    Reactivity of nanocrystalline copper oxide and its modification under magnetic field [Text] / A. Ye. Yermakov [и др.] // Solid State ionics. - 2004. - Vol. 172, № 1-4. - P317-323

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: The influence of magnetic field on the rate of oxidative dehydrogenation of 2,3,5-trimetyl-1,4-hydroquinone (TMHQ) to 2,3,5-trimetyl-1,4-benzoquinone (TMBQ) with catalysts based on copper oxide nanopowders has been investigated. The initial transformation rate of TMHQ and the final product yield greatly increase after a preliminary magnetization of nanopowders. The adsorption ability of Cu-oxide-based nanopowders with respect to ammonia enhances by 1.5 after their magnetization. Physical mechanism of reactivity variation of CuO nanopowders under the influence of weak stationary external magnetic field (H?3 kOe) has been proposed. As a result of magnetic field influence, the ferromagnetic regions with modified spin and charge state have appeared in an antiferromagnetic CuO of nonstoichiometric composition. These regions can be new catalytic or adsorption centers

\\\\Cserver\\dist\\НБО\\Электронная библиотека_Библиогр1\\Solid State Ionics\\2004, v.172, N 1-4, p.317.pdf
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   S 98


    Synthesis, structures, and magnetic properties of crystals of dinuclear copper(II) and cobalt(II) complexes with 3-(3,5-dimethylpyrazol-1-yl)-6-R-1,2,4,5-tetrazines [Electronic resource] / E. V. Cherdantseva, D. V. Starichenko, P. A. Slepukhin, R. I. Ishmetova, Yu. N. Shvachko, A. V. Korolev, G. L. Rusinov, V. V. Ustinov, A. I. Matern, V. N. Charushin // Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya). - 2010. - Vol. 59, № 4. - P717-723

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
DINUCLEAR COMPLEXES -- SPIN MAGNETISM -- TETRAZINES
Аннотация: Dinuclear complexes of CuII with 3-(3,5-dimethylpyrazol-1-yl)-6-(2-hydroxyethylami-no)-1,2,4,5-tetrazine (1) and CoII with 3-(3,5-dimethylpyrazol-1-yl)-6-(piperidin-1-yl)-1,2,4,5- tetrazine (2) were synthesized and structurally characterized, and the magnetic (SQUID) and resonance (EPR) properties of van der Waals crystals based on these complexes were studied. Unusual behavior of the effective magnetic moment ?eff(T) is observed at T < 60 K. A nonmonotonic increase in eff() for 1 (s~6 %) and a 20% reduction of eff for 2 have a common origin and are due to the influence of spin-orbital coupling on the character of the splitting between the t2g and eg levels of the central ion. Distortions of the coordination site “switch on” a positive (1) or negative (2) contribution of the orbital magnetic moment near 6 K. Irreversible temperature behavior of eff(T) in the heating and cooling regimes in the vicinity of 60 K suggests that the character of structural distortions and the magnetic properties are related to ligand geometry. This factor plays a significant role in crystal engineering of magnetoactive structures with polynitrogen ligands

\\\\Expert2\\nbo\\Russian Chemical Bulletin\\2010, 59 (4), 717-723.pdf
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   P 71


    Planar polycubane single-molecule magnet [NI6(pymeid)6NI12(OH)6(µ3OH)16CL2 (H2O)2]·38H2O: experiment and theory / Y. N. Shvachko, D. V. Starichenko, A. V. Korolev, A. V. Pestov, P. A. Slepukhin, D. W. Boukhvalov // Inorganica chimica acta. - 2018. - V 483. - P480-487

ББК 24
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Comprehensive experimental and theoretical study of atomic and magnetic structure of the 18-nuclei complex [Ni6(pymeid)6Ni12(OH)6(µ3-OH)16Cl2 (H2O)2] 38H2O (H2pymeid – N-(2-pyridyl)methyliminodipropionic acid) with rare polycubane planar architecture is reported. Magnetic moments of NiII ions (S = 1) in the sectional metal-oxygen Ni18 core are coupled ferro- and antiferromagnetically, so that the complex is a single-molecule magnet (SMM) with the total spin in the ground state S = 10, and the blocking temperature Tb = 14.3 K. The ac – susceptibility, χ’’, obeys the Arrhenius law with the effective barrier Ueff = 18.9 cm−1 (27.2 K). QTM regime is observed at T ≤ 8 K. Magnetic anisotropy is characterized by remanent magnetization M0 = 0.7 µB and coercive field Hc = 340 Oe. Electronic structure and values of the local moments and the exchange constants are calculated in the LDA + U DFT approach. Two complementary 3-nuclei cubane fragments are linked antiferromagnetically to the main 12-nuclei ferromagnetic core. The ligands moderate the exchange couplings in the adjacent cubanes by shifting respective 3d DOS peaks of peripheral Ni ions towards lower energies.

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