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 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 |