Halogen Bonding Channels for Magnetic Exchange in Cu(II) Complexes with 2,5-Di(methylthio)-1,3,4-thiadiazole

被引：9

作者：

Lavrenova, Ludmila G. ^{[1
]}

Ivanova, Alina I. ^{[1
]}

Glinskaya, Lyudmila A. ^{[1
]}

Artem'ev, Alexander V. ^{[1
]}

Lavrov, Alexander N.

Novikov, Alexander S. ^{[1
,2
,3
]}

Abramov, Pavel A. ^{[1
,4
]}

机构：

[1] SB RAS, Nikolaev Inst Inorgan Chem, 3 Acad Lavrentiev Ave, Novosibirsk 630090, Russia

[2] St Petersburg State Univ, Inst Chem, Univ Skaya Nab 7-9, St Petersburg 199034, Russia

[3] RUDN Univ, ?eoples Friendship Univ Russia, Res Inst Chem, Miklukho Maklaya St, 6, Moscow 117198, Russia

[4] Ural Fed Univ BN Yeltsin, Inst Nat Sci Math, Lenin Ave, 51, Ekaterinburg 620075, Russia

来源：

CHEMISTRY-AN ASIAN JOURNAL | 2023年 / 18卷 / 04期

关键词：

non-covalent interactions; magnetic properties; copper thiadiazol complexes; quantum chemical calculations; ZETA BASIS-SETS; SOLID-STATE; ANTIFERROMAGNETIC UNIFORM; CRYSTAL-STRUCTURE; CHAIN COMPOUND; COPPER(II); CONTACTS; FEATURES; THERMODYNAMICS; DIARYLIODONIUM;

D O I：

10.1002/asia.202201200

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Copper(II) complexes with 2,5-bis(methylthio)-1,3,4-thiadiazole (tda) formulated as [Cu(tda)(n)X-2] (n=2, X=Cl-, Br-, C2N3-; n= 1, X=C2N3-) have been isolated and fully characterized. The crystal structures of all compounds have been determined using single-crystal X-ray diffraction (SCXRD). A study of the magnetic susceptibility in the range 1.77-300 K has shown that magnetic properties of the [Cu(tda)(2)Cl-2] and [Cu(tda)(2)Br-2] complexes match those of 1D chains of antiferromagnetically-coupled Cu2+ ions. The intrachain interaction J in [Cu(tda)(2)Cl-2] turns out to be similar to 1.2 times weaker than in its bromide analogue. In its turn, [Cu(tda)(2)(C2N3)(2)] exhibits J being an order of magnitude smaller and of the opposite ferromagnetic sign. Halogen bonding (HB) between adjacent complexes is much stronger than the H-bonds or pi-pi interactions between tda ligands according to the DFT calculations.

引用

页数：10

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