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

被引：1
|
作者：
Gusev, A. N. [1 ]
Shul'gin, V. F. [1 ]
Shcherbakov, I. N. [2 ]
Lysenko, K. A. [3 ]
Minin, V. V. [4 ]
Eremenko, I. L. [4 ]
机构：
[1] Vernadsky Crimean Fed Univ, Ul Vernadskogo 4, Simferopol 295007, Russia
[2] Southern Fed Univ, Ul Bolshaya Sadovaya 105-42, Rostov Na Donu 344006, Russia
[3] Russian Acad Sci, Nesmeyanov Inst Organoelement Cpds, Ul Vavilova 28, Moscow 119991, Russia
[4] Russian Acad Sci, Kurnakov Inst Gen & Inorgan Chem, Leninskii Pr 31, Moscow 119991, Russia
来源：
RUSSIAN JOURNAL OF COORDINATION CHEMISTRY | 2017年 / 43卷 / 01期
基金：
俄罗斯基础研究基金会;
关键词：
EXCHANGE COUPLING-CONSTANTS; TRANSITION-METAL-COMPLEXES; MAGNETIC EXCHANGE; CHEMISTRY;
D O I：
10.1134/S1070328417010043
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Two new copper(II) complexes with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane (H2L), [Cu-2(HL)Cl-3] center dot 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.
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收藏
页码：37 / 43
页数：7
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