M. A. Vershinin, A. S. Novikov, M. N. Sokolov, S. A. Adonin
{"title":"Heteroleptic Zn(II) Halide Complexes with Iodine-Substituted Benzonitriles: Peculiarities of the Halogen Bond in the Solid State","authors":"M. A. Vershinin, A. S. Novikov, M. N. Sokolov, S. A. Adonin","doi":"10.1134/S1070328423700690","DOIUrl":null,"url":null,"abstract":"<p>The reactions of zinc(II) bromide with 3- and 4-iodobenzonitriles (3-I-BzCN and 4-I-Bz-CN) afford heteroligand complexes [L<sub>2</sub>ZnBr<sub>2</sub>] (L = 3-I-BzCN (<b>I</b>) and 4-I-BzCN (<b>II</b>)), whose structures are determined by X-ray diffraction (XRD) (CIF files CCDC nos. 2253175 (<b>I</b>) and 2253176 (<b>II</b>)). Both crystal structures contain halogen bonds I···Br linking the [ZnBr<sub>2</sub>L<sub>2</sub>] fragments into supramolecular layers (<b>I</b>) or chains (<b>II</b>). The energies of these noncovalent interactions are estimated by quantum-chemical calculations.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"50 1","pages":"1 - 6"},"PeriodicalIF":1.1000,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Journal of Coordination Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S1070328423700690","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
Abstract
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···Br linking the [ZnBr2L2] fragments into supramolecular layers (I) or chains (II). The energies of these noncovalent interactions are estimated by quantum-chemical calculations.
期刊介绍:
Russian Journal of Coordination Chemistry is a journal that publishes reviews, original papers, and short communications on all aspects of theoretical and experimental coordination chemistry. Modern coordination chemistry is an interdisciplinary science that makes a bridge between inorganic, organic, physical, analytical, and biological chemistry.