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.
Authors
- Leticia González (ORCID: https://orcid.org/0000-0001-5112-794X)
- Johannes C. B. Dietschreit (ORCID: https://orcid.org/0000-0002-5840-0002)
- Georg Kresse (ORCID: https://orcid.org/0000-0001-9102-4259)
- Michael J. Sahre (ORCID: https://orcid.org/0000-0003-3318-7484)
- Patrick Lechner (ORCID: https://orcid.org/0009-0009-0142-3906)
- G. Ganguly (ORCID: https://orcid.org/0000-0002-3357-0435)
Institutions
- University of Vienna (AT)
- VASP Software (Austria) (AT)
Publication Details
- Journal
- Angewandte Chemie
- Published
- 2025-09-15
- DOI
- https://doi.org/10.1002/ange.202519978
- Primary Topic
- Magnetism in coordination complexes
- Type
- article
- Field-Weighted Citation Impact
- 0.00