Patrick Lechner, Dr. Gaurab Ganguly, Dr. Michael J. Sahre, Prof. Georg Kresse, Dr. Johannes C. B. Dietschreit, Prof. Leticia González
{"title":"外封底：旋转挫折决定了金属-有机框架与三角形铁(III) -氧簇的稳定性和反应性（新）。化学41/2025)","authors":"Patrick Lechner, Dr. Gaurab Ganguly, Dr. Michael J. Sahre, Prof. Georg Kresse, Dr. Johannes C. B. Dietschreit, Prof. Leticia González","doi":"10.1002/ange.202519978","DOIUrl":null,"url":null,"abstract":"<p>The image illustrates frustrated spins in the triangular Fe<sub>3</sub>(μ<sub>3</sub>-O) nodes of the MIL-101(Fe). In their Research Article (e202514014), Leticia González, Georg Kresse and coworkers reveal the true antiferromagnetic ground state of such metal-organic frameworks by using spin-flip, broken-symmetry DFT. This intrinsic spin frustration determines structure stability and controls the temperature-dependent switch between N<sub>2</sub> fixation and CO adsorption. The “spin-city” illustration is designed by Caroline Lechner.\n\n <figure>\n <div><picture>\n <source></source></picture><p></p>\n </div>\n </figure></p>","PeriodicalId":7803,"journal":{"name":"Angewandte Chemie","volume":"137 41","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ange.202519978","citationCount":"0","resultStr":"{\"title\":\"Outside Back Cover: Spin Frustration Determines the Stability and Reactivity of Metal–Organic Frameworks with Triangular Iron(III)–Oxo Clusters (Angew. Chem. 41/2025)\",\"authors\":\"Patrick Lechner, Dr. Gaurab Ganguly, Dr. Michael J. Sahre, Prof. Georg Kresse, Dr. Johannes C. B. Dietschreit, Prof. Leticia González\",\"doi\":\"10.1002/ange.202519978\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>The image illustrates frustrated spins in the triangular Fe<sub>3</sub>(μ<sub>3</sub>-O) nodes of the MIL-101(Fe). In their Research Article (e202514014), Leticia González, Georg Kresse and coworkers reveal the true antiferromagnetic ground state of such metal-organic frameworks by using spin-flip, broken-symmetry DFT. This intrinsic spin frustration determines structure stability and controls the temperature-dependent switch between N<sub>2</sub> fixation and CO adsorption. The “spin-city” illustration is designed by Caroline Lechner.\\n\\n <figure>\\n <div><picture>\\n <source></source></picture><p></p>\\n </div>\\n </figure></p>\",\"PeriodicalId\":7803,\"journal\":{\"name\":\"Angewandte Chemie\",\"volume\":\"137 41\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-09-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ange.202519978\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Angewandte Chemie\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/ange.202519978\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Angewandte Chemie","FirstCategoryId":"1085","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/ange.202519978","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
该图像显示了MIL-101（Fe）的三角形Fe3（μ3-O）节点中的受挫自旋。在他们的研究文章（e202514014）中，Leticia González， Georg Kresse和同事通过使用自旋翻转，缺对称DFT揭示了这种金属有机框架的真正反铁磁基态。这种固有的自旋挫折决定了结构的稳定性，并控制了N2固定和CO吸附之间的温度依赖开关。这幅“旋转城市”的插画是由Caroline Lechner设计的。
Outside Back Cover: Spin Frustration Determines the Stability and Reactivity of Metal–Organic Frameworks with Triangular Iron(III)–Oxo Clusters (Angew. Chem. 41/2025)
The image illustrates frustrated spins in the triangular Fe3(μ3-O) nodes of the MIL-101(Fe). In their Research Article (e202514014), Leticia González, Georg Kresse and coworkers reveal the true antiferromagnetic ground state of such metal-organic frameworks by using spin-flip, broken-symmetry DFT. This intrinsic spin frustration determines structure stability and controls the temperature-dependent switch between N2 fixation and CO adsorption. The “spin-city” illustration is designed by Caroline Lechner.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
