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{"title":"D5h H©Cu5H5-: a covalently bonded planar pentacoordinate hydrogen star","authors":"Lixia Bai, Yan-Xia Jin, Mesías Orozco-Ic, Gabriel Merino, Jin-Chang Guo","doi":"10.1039/d4cc05041j","DOIUrl":null,"url":null,"abstract":"A D5h hydrocopper H©Cu5H5- star with planar pentacoordinate hydrogen (ppH) was designed. This structure is the global minimum, exhibiting dynamic stability. Its planar geometry is supported by five peripheral Cu-H-Cu 3c-2e sigma-bonds and a central 6c-2e sigma-bond. Unlike the ionic H©Li5H5- cluster, H©Cu5H5- features covalent multicenter bonding.","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":"48 1","pages":""},"PeriodicalIF":4.3000,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Communications","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d4cc05041j","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
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D5h H©Cu5H5-：共价键平面五配位氢星
我们设计了一种具有平面五配位氢（ppH）的 D5h 氢铜 H©Cu5H5- 星体。这种结构是全局最小结构，具有动态稳定性。它的平面几何结构由五个外围的 Cu-H-Cu 3c-2e sigma 键和一个中心的 6c-2e sigma 键支撑。与离子型 H©Li5H5- 簇不同，H©Cu5H5- 具有共价多中心键。
本文章由计算机程序翻译，如有差异，请以英文原文为准。
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