Crystal structure, spectroscopy, and magnetism of alternating trinuclear, bridged hydroxo and oxo copper (II) complexes

  • The synthesis, structure, and magnetic properties of a novel metal-organic framework (MOF), CFA-24 ([Cu6(dmta)9O(OH)]; H-dmta = 4,5-Dimethyl-1H-1,2,3-triazole), featuring alternating oxo- and hydroxo-bridged Cu (II) triangles are the focus of this study. The synthesis process of H-dmta and CFA-24 was optimized to ensure scalability and high yields, with the resulting MOF characterized using single-crystal X-ray diffraction, powder X-ray diffraction, thermogravimetric analysis, and various spectroscopic techniques. Structural analysis revealed a chiral cubic crystal system (space group P213), with copper ions forming equilateral triangles linked by triazoles. The study also explores the magnetic behaviour of CFA-24 using SQUID magnetometry and theoretical modeling. The magnetic data indicate strong antiferromagnetic interactions, modulated by Dzyaloshinskii-Moriya interactions (DMI), which contribute to the system's complex magnetic ground state. This research enhances the understandingThe synthesis, structure, and magnetic properties of a novel metal-organic framework (MOF), CFA-24 ([Cu6(dmta)9O(OH)]; H-dmta = 4,5-Dimethyl-1H-1,2,3-triazole), featuring alternating oxo- and hydroxo-bridged Cu (II) triangles are the focus of this study. The synthesis process of H-dmta and CFA-24 was optimized to ensure scalability and high yields, with the resulting MOF characterized using single-crystal X-ray diffraction, powder X-ray diffraction, thermogravimetric analysis, and various spectroscopic techniques. Structural analysis revealed a chiral cubic crystal system (space group P213), with copper ions forming equilateral triangles linked by triazoles. The study also explores the magnetic behaviour of CFA-24 using SQUID magnetometry and theoretical modeling. The magnetic data indicate strong antiferromagnetic interactions, modulated by Dzyaloshinskii-Moriya interactions (DMI), which contribute to the system's complex magnetic ground state. This research enhances the understanding of magnetically frustrated systems and positions CFA-24 as a potential candidate for spintronic applications.show moreshow less

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Metadaten
Author:Marcel Hirrle, Richard Röß-OhlenrothORCiD, Tobias Luxenhofer, Björn BredenkötterGND, Maryana Kraft, Hans-Albrecht Krug von NiddaORCiDGND, Dirk VolkmerORCiDGND
URN:urn:nbn:de:bvb:384-opus4-1210434
Frontdoor URLhttps://opus.bibliothek.uni-augsburg.de/opus4/121043
ISSN:0022-4596OPAC
Parent Title (English):Journal of Solid State Chemistry
Publisher:Elsevier BV
Place of publication:Amsterdam
Type:Article
Language:English
Year of first Publication:2025
Publishing Institution:Universität Augsburg
Release Date:2025/04/02
Volume:348
First Page:125328
DOI:https://doi.org/10.1016/j.jssc.2025.125328
Institutes:Mathematisch-Naturwissenschaftlich-Technische Fakultät
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / Lehrstuhl für Festkörperchemie
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / Lehrstuhl für Experimentalphysik V
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Licence (German):CC-BY 4.0: Creative Commons: Namensnennung