Научная сессия и заседание Учёного совета
Повестка дня: 1. С.В. Юртаева. Ферромагнитно-связанные кластеры меди в фунционализированных карбоксилатами гиперразветвленных полимерных матрицах Boltorn H30. Результаты ЭПР- исследований, измерений магнитной восприимчивости и квантово-химических расчетов. По материалам опубликованной статьи: S. V. Yurtaeva1, I. F. Gilmutdinov3, A. A. Rodionov3, R. B. Zaripov1, M. P. Kutyreva2, O.V. Bondar2, O. V. Nedopekin3, N.R. Khafizov2, and O. N. Kadkin2. Ferromagnetically-Coupled Copper(II) Clusters Incorporated in Functionalized Boltorn H30 Hyperbranched Polymer Architecture: ESR, Magnetic Susceptibility Measurements, and Quantum-Chemical Calculations 1Zavoisky Kazan Physical-Technical Institute, KSC, RAS, Kazan 2Alexander Butlerov Institute of Chemistry, KFU, Kazan 3Institute of Physics, KFU, Kazan ABSTRACT: Unusual temperature behavior of the ESR spectra and magnetic properties is experimentally observed in copper(II) complex with a dendritic ligand based on Boltorn H30 polymer (Perstorp Specialty Chemicals AB, Sweden) functionalized with fumaric acid residues in molar ratio 1 : 6. The ESR spectra were investigated in X- and Q-band. The temperature dependences of the integrated intensities of ESR signal and magnetic susceptibility show the positive deviation from the Curie–Weiss law, pointing to the presence of ferromagnetic exchange interactions in the system under study. The values of the exchange interaction parameters are calculated by quantum-chemical simulation of the possible structure of the copper(II) complex when assuming the formation of trinuclear coordination sites embedded in the hyperbranched polymer structure. The results of DFT calculations indicate the possibility of ferromagnetic exchange through carboxylate bridges in the trinuclear magnetic clusters, and the calculated values of the exchange interaction parameters make it possible to construct theoretical curves of the temperature dependence of the effective magnetic moment which satisfactorily fit the experimental data, especially considering that polymers are characterized by disperse molecular weights and chemical structure. 2. Разное |