{"title":"[o-C2B10H10]3 是球形芳香族碳硼烷的三聚体。球形芳香态之间的持续性和相互作用","authors":"Peter L. Rodriguez-Kessler , Alvaro Muñoz-Castro","doi":"10.1016/j.cplett.2024.141752","DOIUrl":null,"url":null,"abstract":"<div><div>Envisaging cluster-based materials requires a fundamental understanding of the aggregation processes and resulting properties. The inherent spherical aromatic properties of carboranes trigger further evaluation of the persistence of such property in the resulting cluster aggregate. Here, we evaluated the formation of a trimeric species based on the neutral [<em>o</em>-C<sub>2</sub>B<sub>10</sub>H<sub>12</sub>] cluster on the [<em>o</em>-C<sub>2</sub>B<sub>10</sub>H<sub>10</sub>]<sub>3</sub> form. The obtained results show that the inherent spherical aromatic characteristics of the constituent building units remain in the resulting trimer aggregate as three spherical aromatic states. Thus, cluster-based materials can be envisaged from stable spherical aromatic units, guiding further experimental realization of cluster-based aggregates.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"858 ","pages":"Article 141752"},"PeriodicalIF":2.8000,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"[o-C2B10H10]3 as a trimer aggregate of spherical aromatic carboranes. Persistence and interplay between spherical aromatic states\",\"authors\":\"Peter L. Rodriguez-Kessler , Alvaro Muñoz-Castro\",\"doi\":\"10.1016/j.cplett.2024.141752\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Envisaging cluster-based materials requires a fundamental understanding of the aggregation processes and resulting properties. The inherent spherical aromatic properties of carboranes trigger further evaluation of the persistence of such property in the resulting cluster aggregate. Here, we evaluated the formation of a trimeric species based on the neutral [<em>o</em>-C<sub>2</sub>B<sub>10</sub>H<sub>12</sub>] cluster on the [<em>o</em>-C<sub>2</sub>B<sub>10</sub>H<sub>10</sub>]<sub>3</sub> form. The obtained results show that the inherent spherical aromatic characteristics of the constituent building units remain in the resulting trimer aggregate as three spherical aromatic states. Thus, cluster-based materials can be envisaged from stable spherical aromatic units, guiding further experimental realization of cluster-based aggregates.</div></div>\",\"PeriodicalId\":273,\"journal\":{\"name\":\"Chemical Physics Letters\",\"volume\":\"858 \",\"pages\":\"Article 141752\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2024-11-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Physics Letters\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0009261424006948\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Physics Letters","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0009261424006948","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
[o-C2B10H10]3 as a trimer aggregate of spherical aromatic carboranes. Persistence and interplay between spherical aromatic states
Envisaging cluster-based materials requires a fundamental understanding of the aggregation processes and resulting properties. The inherent spherical aromatic properties of carboranes trigger further evaluation of the persistence of such property in the resulting cluster aggregate. Here, we evaluated the formation of a trimeric species based on the neutral [o-C2B10H12] cluster on the [o-C2B10H10]3 form. The obtained results show that the inherent spherical aromatic characteristics of the constituent building units remain in the resulting trimer aggregate as three spherical aromatic states. Thus, cluster-based materials can be envisaged from stable spherical aromatic units, guiding further experimental realization of cluster-based aggregates.
期刊介绍:
Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage.
Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.