Heteroleptic Zn(II) Halide Complexes with Iodine-Substituted Benzonitriles: Peculiarities of the Halogen Bond in the Solid State

被引：1

作者：

Vershinin, M. A. ^{[1
]}

Novikov, A. S. ^{[2
]}

Sokolov, M. N. ^{[1
]}

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

机构：

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

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

[3] Russian Acad Sci, Favorsky Irkutsk Inst Chem, Siberian Branch, Irkutsk, Russia

来源：

RUSSIAN JOURNAL OF COORDINATION CHEMISTRY | 2024年 / 50卷 / 01期

关键词：

zinc complexes; N-donor ligands; halogen bonds; crystal structure; quantum-chemical calculations; SIGMA-HOLE DONOR; COORDINATION POLYMERS; CRYSTAL; BR; HYDROGEN; CL; DIARYLIODONIUM; RECOGNITION; LINKING; RADII;

D O I：

10.1134/S1070328423700690

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The reactions of zinc(II) bromide with 3- and 4-iodobenzonitriles (3-I-BzCN and 4-I-Bz-CN) afford heteroligand complexes [L2ZnBr2] (L = 3-I-BzCN (I) and 4-I-BzCN (II)), whose structures are determined by X-ray diffraction (XRD) (CIF files CCDC nos. 2253175 (I) and 2253176 (II)). Both crystal structures contain halogen bonds I center dot center dot center dot Br linking the [ZnBr2L2] fragments into supramolecular layers (I) or chains (II). The energies of these noncovalent interactions are estimated by quantum-chemical calculations.

引用

页码：1 / 6

页数：6

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