New copper(II) coordination compounds with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2017-01

AUTHORS

A. N. Gusev, V. F. Shul’gin, I. N. Shcherbakov, K. A. Lysenko, V. V. Minin, I. L. Eremenko

ABSTRACT

Two new copper(II) complexes with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane (H2L), [Cu2(HL)Cl3] · H2O (I) and [Cu(H2L)](ClO4)2 (II), were described. The compounds were characterized by elemental analysis, IR spectroscopy, and magnetochemical data. According to X-ray diffraction data (CIF files CCDC nos. 1497511 (I), 1497512 (II)), complex I is binuclear and the metal cations are bound by the nitrogen atoms of the triazole ring and by the chloride anion. Complex II is mononuclear. Analysis of the temperature dependence of the magnetic susceptibility of I attests to the antiferromagnetic coupling of paramagnetic centers (–2J = 18 cm–1). Exchange channels are analyzed by means of density functional theory (B3LYP/6-311G(d)) using the broken symmetry approach. More... »

PAGES

37-43

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1070328417010043

DOI

http://dx.doi.org/10.1134/s1070328417010043

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1083821360


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