Outside Back Cover: Spin Frustration Determines the Stability and Reactivity of Metal–Organic Frameworks with Triangular Iron(III)–Oxo Clusters (Angew. Chem. 41/2025)
Patrick Lechner, Dr. Gaurab Ganguly, Dr. Michael J. Sahre, Prof. Georg Kresse, Dr. Johannes C. B. Dietschreit, Prof. Leticia González
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引用次数: 0
Abstract
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.
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。
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