Yudai Ichikawa, Kanami Sugiyama, Masahiro Higashi, Shuichi Hiraoka, Hirofumi Sato
{"title":"A coarse-grained analysis on coordination self-assembly of a caged dinuclear palladium complex","authors":"Yudai Ichikawa, Kanami Sugiyama, Masahiro Higashi, Shuichi Hiraoka, Hirofumi Sato","doi":"10.1093/chemle/upae099","DOIUrl":null,"url":null,"abstract":"\n We propose a coarse-grained analysis to understand coordination self-assembly. The developed model reduced the system into the assembling components that interact mainly electrostatically. The modeled energies sufficiently reproduced the energy changes to produce a caged di-nuclear palladium complex obtained by the density functional theory. The model made it possible to clarify the physicochemical background of the assembly process.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":1.4000,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemistry Letters","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1093/chemle/upae099","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
We propose a coarse-grained analysis to understand coordination self-assembly. The developed model reduced the system into the assembling components that interact mainly electrostatically. The modeled energies sufficiently reproduced the energy changes to produce a caged di-nuclear palladium complex obtained by the density functional theory. The model made it possible to clarify the physicochemical background of the assembly process.
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