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-tr iazine / Prokhorov A. M.,Kozhevnikov D. N.,Rusinov V. L.,Chupakhin O. N.,Aleksandrov G. G.,Shvachko Yu. N.,Starichenko D. V.,Korolev A. V.,Bukhvalov D. V.,Ustinov V. V. // RUSSIAN CHEMICAL BULLETIN. - 2008. - V. 57, l. 3. - P. 561-566.

ISSN/EISSN:

1066-5285 / нет данных

Type:

Article

Abstract:

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 Cull 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 pi states of 1,2,4-triazine and the d states of copper was revealed and numerically validated.

Author keywords:

N,N,O-ligand; 1,2,4-triazine; Cu(II) complex; magnetic measurements; ESR; electronic structure; stacking effect

DOI:

нет данных

Web of Science ID:

ISI:000263566900017

Соавторы в МНС:

Другие поля

Поле	Значение
Month	MAR
Publisher	SPRINGER
Address	233 SPRING ST, NEW YORK, NY 10013 USA
Language	English
Research-Areas	Chemistry
Web-of-Science-Categories	Chemistry, Multidisciplinary
Author-Email	rusinov@htf.ustu.ru yurii.shvachko@imp.uran.ru
ResearcherID-Numbers	Ustinov, Vladimir/G-7501-2011 Starichenko, Denis/J-9813-2013 Boukhvalov, Danil/F-7517-2017 Prokhorov, Anton/B-9789-2011 Alexander, Korolev/K-3036-2013
ORCID-Numbers	Ustinov, Vladimir/0000-0002-5155-7947 Starichenko, Denis/0000-0001-9481-538X Alexander, Korolev/0000-0002-5104-3997
Funding-Acknowledgement	Russian Academy of Sciences {[}24]; Program of the Siberian Branch of the Russian Academy of Sciences; Ural Branch of the Russian Academy of Sciences {[}29]; Russian Foundation for Basic Research {[}05-03-32384a]; Council on Grants of the President of the Russian Federation {[}NSh-1766.2003.3, NSh-5869.2006.2, NSh-747.2003.2]
Funding-Text	This study was financially supported by the Russian Academy of Sciences (Program of the Presidium of the Russian Academy of Sciences ``Synthesis and Study of the Magnetic and Electronic Properties of New Molecular Magnets Based on Metal Complexes with O, N, and S Ligands,{''} Project No. 24; Program of the Siberian Branch of the Russian Academy of Sciences and the Ural Branch of the Russian Academy of Sciences, Integration Project No. 29), the Russian Foundation for Basic Research (Projects No. 05-03-32384a), and the Council on Grants of the President of the Russian Federation (Program for State Support of Leading Scientific Schools of the Russian Federation, Grants NSh-1766.2003.3, NSh-5869.2006.2, and NSh-747.2003.2).
Number-of-Cited-References	10
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	2
Journal-ISO	Russ. Chem. Bull.
Doc-Delivery-Number	410HA