{"title":"立方七核钴（II）双（Salamo）型簇：结构、光谱和计算研究","authors":"Li-Ping Na, Le-Le Liu, Rui Chen, Hao-Ying Niu, Chen Chen, Li Wang, Wen-Kui Dong","doi":"10.1002/aoc.70014","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>A cube-like heptanuclear cobalt(II) cluster single crystals, namely, [Co<sub>7</sub>(L)<sub>2</sub>(<i>μ</i><sub>3</sub>-OCH<sub>3</sub>)<sub>2</sub>(<i>μ</i><sub>3</sub>-OH)<sub>4</sub>](ClO<sub>4</sub>)<sub>2</sub>, was successfully grown up by reacting of a bis(salamo)-type ligand H<sub>3</sub>L containing two N<sub>2</sub>O<sub>2</sub> coordination cavities with Co(NO<sub>3</sub>)<sub>2</sub>·6H<sub>2</sub>O using natural volatilization method. Single-crystal analysis displayed that the cobalt(II) cluster is a heptanuclear cobalt(II) cluster. In this paper, the UV–Vis absorption and fluorescence spectra of H<sub>3</sub>L and its cobalt(II) cluster have been investigated. Through Hirshfeld surface analyses, the intermolecular interactions on the molecular surfaces are visually presented, and the contributions of each interaction to the intermolecular surface interactions are quantified by two-dimensional fingerprints. DFT calculation and MEP analyses have been used to investigate the electronic structures and coordination sites of the cobalt(II) cluster.</p>\n </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":4.3000,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A Cubic Heptanuclear Cobalt(II) Bis(Salamo)-Type Cluster: Structural, Spectroscopic, and Computational Studies\",\"authors\":\"Li-Ping Na, Le-Le Liu, Rui Chen, Hao-Ying Niu, Chen Chen, Li Wang, Wen-Kui Dong\",\"doi\":\"10.1002/aoc.70014\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n <p>A cube-like heptanuclear cobalt(II) cluster single crystals, namely, [Co<sub>7</sub>(L)<sub>2</sub>(<i>μ</i><sub>3</sub>-OCH<sub>3</sub>)<sub>2</sub>(<i>μ</i><sub>3</sub>-OH)<sub>4</sub>](ClO<sub>4</sub>)<sub>2</sub>, was successfully grown up by reacting of a bis(salamo)-type ligand H<sub>3</sub>L containing two N<sub>2</sub>O<sub>2</sub> coordination cavities with Co(NO<sub>3</sub>)<sub>2</sub>·6H<sub>2</sub>O using natural volatilization method. Single-crystal analysis displayed that the cobalt(II) cluster is a heptanuclear cobalt(II) cluster. In this paper, the UV–Vis absorption and fluorescence spectra of H<sub>3</sub>L and its cobalt(II) cluster have been investigated. Through Hirshfeld surface analyses, the intermolecular interactions on the molecular surfaces are visually presented, and the contributions of each interaction to the intermolecular surface interactions are quantified by two-dimensional fingerprints. DFT calculation and MEP analyses have been used to investigate the electronic structures and coordination sites of the cobalt(II) cluster.</p>\\n </div>\",\"PeriodicalId\":8344,\"journal\":{\"name\":\"Applied Organometallic Chemistry\",\"volume\":\"39 3\",\"pages\":\"\"},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2025-02-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Applied Organometallic Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/aoc.70014\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Applied Organometallic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/aoc.70014","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
A Cubic Heptanuclear Cobalt(II) Bis(Salamo)-Type Cluster: Structural, Spectroscopic, and Computational Studies
A cube-like heptanuclear cobalt(II) cluster single crystals, namely, [Co7(L)2(μ3-OCH3)2(μ3-OH)4](ClO4)2, was successfully grown up by reacting of a bis(salamo)-type ligand H3L containing two N2O2 coordination cavities with Co(NO3)2·6H2O using natural volatilization method. Single-crystal analysis displayed that the cobalt(II) cluster is a heptanuclear cobalt(II) cluster. In this paper, the UV–Vis absorption and fluorescence spectra of H3L and its cobalt(II) cluster have been investigated. Through Hirshfeld surface analyses, the intermolecular interactions on the molecular surfaces are visually presented, and the contributions of each interaction to the intermolecular surface interactions are quantified by two-dimensional fingerprints. DFT calculation and MEP analyses have been used to investigate the electronic structures and coordination sites of the cobalt(II) cluster.
期刊介绍：
All new compounds should be satisfactorily identified and proof of their structure given according to generally accepted standards. Structural reports, such as papers exclusively dealing with synthesis and characterization, analytical techniques, or X-ray diffraction studies of metal-organic or organometallic compounds will not be considered. The editors reserve the right to refuse without peer review any manuscript that does not comply with the aims and scope of the journal. Applied Organometallic Chemistry publishes Full Papers, Reviews, Mini Reviews and Communications of scientific research in all areas of organometallic and metal-organic chemistry involving main group metals, transition metals, lanthanides and actinides. All contributions should contain an explicit application of novel compounds, for instance in materials science, nano science, catalysis, chemical vapour deposition, metal-mediated organic synthesis, polymers, bio-organometallics, metallo-therapy, metallo-diagnostics and medicine. Reviews of books covering aspects of the fields of focus are also published.
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