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{"title":"D 5h H©Cu5H5−: a covalently bonded planar pentacoordinate hydrogen star†","authors":"Li-Xia Bai , Yan-Xia Jin , Mesías Orozco-Ic , Gabriel Merino , Jin-Chang Guo","doi":"10.1039/d4cc05041j","DOIUrl":null,"url":null,"abstract":"<div><div>A <em>D</em><sub>5h</sub> hydrocopper H©Cu<sub>5</sub>H<sub>5</sub><sup>−</sup> 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 σ-bonds and a central 6c–2e σ-bond. Unlike the ionic H©Li<sub>5</sub>H<sub>5</sub><sup>−</sup> cluster, H©Cu<sub>5</sub>H<sub>5</sub><sup>−</sup> features covalent multicenter bonding.</div></div>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":"60 100","pages":"Pages 14996-14999"},"PeriodicalIF":4.2000,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Communications","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S1359734524024881","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/11/20 0:00:00","PubModel":"Epub","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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