Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of HalogenMIDLINE HORIZONTAL ELLIPSISHalogen Contacts in the Solid State

被引：11

作者：

Adonin, S. A. ^{[1
,2
,3
,4
]}

Novikov, A. S. ^{[5
]}

Smirnova, Yu K. ^{[2
]}

Tushakova, Z. R. ^{[2
]}

Fedin, V. P. ^{[1
,4
]}

机构：

[1] Russian Acad Sci, Siberian Branch, Nikolaev Inst Inorgan Chem, Novosibirsk, Russia

[2] Tyumen Ind Univ, Tobolsk Ind Inst, Tobolsk, Russia

[3] Southern Ural State Univ, Chelyabinsk, Russia

[4] Novosibirsk State Univ, Novosibirsk, Russia

[5] St Petersburg State Univ, St Petersburg, Russia

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2020年 / 61卷 / 05期

关键词：

copper; halogen bond; halide complexes; non-covalent interactions; quantum chemical calculations; NONCOVALENT INTERACTIONS; MAGNETIC-PROPERTIES; M-X; BOND DONOR; CL; BR; INTERPLAY; METALS; RADII; VAN;

D O I：

10.1134/S0022476620050066

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

By the reaction of a CuCl(2)2H(2)O solution in ethanol with a 2-bromopyridine (2-BrPy) solution in ethanol heteroligand complex [Cu(2-BrPy)(2)(H2O)Cl-2](1)is obtained and its structure is determined by single crystal XRD. The energies of non-covalent halogenMIDLINE HORIZONTAL ELLIPSIShalogen interactions in the crystal structures of1and previously obtained [Cu(2-ClPy)(2)(H2O)Cl-2](2)are estimated by quantum chemical calculations within the density functional theory at the M06/DZP-DKH level and the QTAIM topological analysis of the electron density distribution.

引用

页码：712 / 718

页数：7

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