{"title":"Aromaticity – a theoretical notion","authors":"Israel Agranat","doi":"10.1007/s11224-024-02328-y","DOIUrl":null,"url":null,"abstract":"<div><p>In 2023, a themed collection on “Emerging frontiers in aromaticity” was published in <i>Chemical Science</i>. The collection included a Perspective Essay entitled “Aromaticity – Quo Vadis”, which presents a wealth of viewpoints on the multiple definitions of aromaticity. The present Prefatory Review revives the viewpoint that aromaticity is a theoretical notion and as such, its meaning is theory dependent. Therefore, when aromaticity is made to correspond to two or more ‘experimental’ ideas, e.g., energetic, structural, electronic, magnetic, it would be absurd to maintain that aromaticity is explicitly defined by each of these ideas in turn. The Review emphasizes that the descriptor ‘theoretical’ in general, including in the context of aromaticity does not mean ‘computational’. The theoretical notion of aromaticity is illustrated by Craig’s rules of aromaticity and by Craig’s second type of aromaticity based on symmetry and delocalization in <i>pπ-dπ</i> bonds, recently highlighted as ‘Craig-Type Möbius aromaticity’.</p></div>","PeriodicalId":780,"journal":{"name":"Structural Chemistry","volume":"35 3","pages":"715 - 720"},"PeriodicalIF":2.1000,"publicationDate":"2024-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11224-024-02328-y.pdf","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11224-024-02328-y","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
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Abstract
In 2023, a themed collection on “Emerging frontiers in aromaticity” was published in Chemical Science. The collection included a Perspective Essay entitled “Aromaticity – Quo Vadis”, which presents a wealth of viewpoints on the multiple definitions of aromaticity. The present Prefatory Review revives the viewpoint that aromaticity is a theoretical notion and as such, its meaning is theory dependent. Therefore, when aromaticity is made to correspond to two or more ‘experimental’ ideas, e.g., energetic, structural, electronic, magnetic, it would be absurd to maintain that aromaticity is explicitly defined by each of these ideas in turn. The Review emphasizes that the descriptor ‘theoretical’ in general, including in the context of aromaticity does not mean ‘computational’. The theoretical notion of aromaticity is illustrated by Craig’s rules of aromaticity and by Craig’s second type of aromaticity based on symmetry and delocalization in pπ-dπ bonds, recently highlighted as ‘Craig-Type Möbius aromaticity’.
期刊介绍：
Structural Chemistry is an international forum for the publication of peer-reviewed original research papers that cover the condensed and gaseous states of matter and involve numerous techniques for the determination of structure and energetics, their results, and the conclusions derived from these studies. The journal overcomes the unnatural separation in the current literature among the areas of structure determination, energetics, and applications, as well as builds a bridge to other chemical disciplines. Ist comprehensive coverage encompasses broad discussion of results, observation of relationships among various properties, and the description and application of structure and energy information in all domains of chemistry.
We welcome the broadest range of accounts of research in structural chemistry involving the discussion of methodologies and structures,experimental, theoretical, and computational, and their combinations. We encourage discussions of structural information collected for their chemicaland biological significance.
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