{"title":"(Tetramethylcyclobutadiene)cobalt complexes with arene ligands. Arene replacement: X-ray diffraction and quantum chemical studies","authors":"D. A. Loginov, Yu. V. Nelyubina","doi":"10.1007/s11172-024-4403-7","DOIUrl":null,"url":null,"abstract":"<div><p>The structures of the complexes [Cb*Co(η<sup>6</sup>-indane)] • PF<sub>6</sub> (<b>1</b> • PF<sub>6</sub>, Cb* = C<sub>4</sub>Me<sub>4</sub>) and [Cb*Co(η<sup>6</sup>-naphthalene)] • PF<sub>6</sub> (<b>2</b> • PF<sub>6</sub>) were determined by X-ray diffraction. The dissociation energies of Co—arene bonds in cations <b>1</b> and <b>2</b> and in related derivatives containing benzene, <i>o</i>-xylene, and anthracene ligands were estimated by DFT calculations. The effect of substituents in the arene ligand on the direction of the nucleophilic attack by acetonitrile during the arene replacement was analyzed.</p></div>","PeriodicalId":756,"journal":{"name":"Russian Chemical Bulletin","volume":"73 10","pages":"2866 - 2871"},"PeriodicalIF":1.7000,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Chemical Bulletin","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11172-024-4403-7","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
The structures of the complexes [Cb*Co(η6-indane)] • PF6 (1 • PF6, Cb* = C4Me4) and [Cb*Co(η6-naphthalene)] • PF6 (2 • PF6) were determined by X-ray diffraction. The dissociation energies of Co—arene bonds in cations 1 and 2 and in related derivatives containing benzene, o-xylene, and anthracene ligands were estimated by DFT calculations. The effect of substituents in the arene ligand on the direction of the nucleophilic attack by acetonitrile during the arene replacement was analyzed.
期刊介绍：
Publishing nearly 500 original articles a year, by leading Scientists from Russia and throughout the world, Russian Chemical Bulletin is a prominent international journal. The coverage of the journal spans practically all areas of fundamental chemical research and is presented in five sections:
General and Inorganic Chemistry;
Physical Chemistry;
Organic Chemistry;
Organometallic Chemistry;
Chemistry of Natural Compounds and Bioorganic Chemistry.
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