动态双根类化合物的开壳态。

IF 3 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Krzysztof Dzieszkowski, Miłosz Pawlicki
{"title":"动态双根类化合物的开壳态。","authors":"Krzysztof Dzieszkowski, Miłosz Pawlicki","doi":"10.1002/cplu.202500033","DOIUrl":null,"url":null,"abstract":"<p><p>The open-shell organic and carbon-based systems, with either a doublet, triplet or higher spin-states, play a key role in contemporary research, opening potential applicability for several crucial fields. Among those derivatives, specific attention has been given to p-phenylene-based systems derived from the original Thiele hydrocarbon. These systems stabilize an open-shell diradicaloid resonance structure with a thermally accessible triplet state and are derived from a quinone-benzene (Clar's sextet) equilibrium. In our discussion, we very carefully choose examples which focus on fundamental derivatives that merge diatropic subunits, ready to stabilize two unpaired electrons via a dynamic modulation of geometry. This process provides an additional factor to the resonance energy of aromatics, mostly responsible for stabilization of two unpaired electrons.</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202500033"},"PeriodicalIF":3.0000,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Open-Shell States in Dynamic Diradicaloids.\",\"authors\":\"Krzysztof Dzieszkowski, Miłosz Pawlicki\",\"doi\":\"10.1002/cplu.202500033\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The open-shell organic and carbon-based systems, with either a doublet, triplet or higher spin-states, play a key role in contemporary research, opening potential applicability for several crucial fields. Among those derivatives, specific attention has been given to p-phenylene-based systems derived from the original Thiele hydrocarbon. These systems stabilize an open-shell diradicaloid resonance structure with a thermally accessible triplet state and are derived from a quinone-benzene (Clar's sextet) equilibrium. In our discussion, we very carefully choose examples which focus on fundamental derivatives that merge diatropic subunits, ready to stabilize two unpaired electrons via a dynamic modulation of geometry. This process provides an additional factor to the resonance energy of aromatics, mostly responsible for stabilization of two unpaired electrons.</p>\",\"PeriodicalId\":148,\"journal\":{\"name\":\"ChemPlusChem\",\"volume\":\" \",\"pages\":\"e202500033\"},\"PeriodicalIF\":3.0000,\"publicationDate\":\"2025-03-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ChemPlusChem\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1002/cplu.202500033\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ChemPlusChem","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1002/cplu.202500033","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

摘要

具有双态、三重态或更高自旋态的开壳有机和碳基体系在当代研究中发挥着关键作用,在几个关键领域开辟了潜在的适用性。在这些衍生物中,特别关注的是由原始Thiele烃衍生的对苯基体系。这些系统稳定了一个具有热可及三重态的开壳双根碱共振结构,并来源于醌-苯(克拉尔六元)平衡。在我们的讨论中,我们非常仔细地选择了一些例子,这些例子集中在合并各向异性亚基的基本导数上,准备通过几何的动态调制来稳定两个未配对的电子。这一过程为芳烃的共振能提供了一个额外的因素,主要负责稳定两个未成对电子。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Open-Shell States in Dynamic Diradicaloids.

The open-shell organic and carbon-based systems, with either a doublet, triplet or higher spin-states, play a key role in contemporary research, opening potential applicability for several crucial fields. Among those derivatives, specific attention has been given to p-phenylene-based systems derived from the original Thiele hydrocarbon. These systems stabilize an open-shell diradicaloid resonance structure with a thermally accessible triplet state and are derived from a quinone-benzene (Clar's sextet) equilibrium. In our discussion, we very carefully choose examples which focus on fundamental derivatives that merge diatropic subunits, ready to stabilize two unpaired electrons via a dynamic modulation of geometry. This process provides an additional factor to the resonance energy of aromatics, mostly responsible for stabilization of two unpaired electrons.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
ChemPlusChem
ChemPlusChem CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
5.90
自引率
0.00%
发文量
200
审稿时长
1 months
期刊介绍: ChemPlusChem is a peer-reviewed, general chemistry journal that brings readers the very best in multidisciplinary research centering on chemistry. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. Fully comprehensive in its scope, ChemPlusChem publishes articles covering new results from at least two different aspects (subfields) of chemistry or one of chemistry and one of another scientific discipline (one chemistry topic plus another one, hence the title ChemPlusChem). All suitable submissions undergo balanced peer review by experts in the field to ensure the highest quality, originality, relevance, significance, and validity.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信