Influence of π 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

被引：0
|
作者：
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
机构：
[1] Ural State Technical University,I. Ya. Postovsky Institute of Organic Synthesis
[2] Ural Branch of the Russian Academy of Sciences,N. S. Kurnakov Institute of General and Inorganic Chemistry
[3] Russian Academy of Sciences,Institute of Metal Physics
[4] Ural Branch of the Russian Academy of Sciences,undefined
来源：
Russian Chemical Bulletin | 2008年 / 57卷
关键词：
-ligand; 1,2,4-triazine; Cu; complex; magnetic measurements; ESR; electronic structure; stacking effect;
D O I：
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学科分类号：
摘要：
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 π states of 1,2,4-triazine and the d states of copper was revealed and numerically validated.
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页码：561 / 566
页数：5
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