| Title: | Copper(II) bromide complexes : crystal structures, magnetic properties, and hydrogen-bond-mediated exchange |
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| Authors: | ID Zakošek, Žan, Institut "Jožef Stefan" (Author)
ID Goreshnik, Evgeny A., Institut "Jožef Stefan" (Author)
ID Jagličić, Zvonko (Author)
ID Škapin, Srečo D., Institut "Jožef Stefan" (Author) |
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| Files: |  URL - Source URL, visit https://www.mdpi.com/2304-6740/14/2/54
 PDF - Presentation file, download (4,20 MB)
MD5: 91612EE8F34DA9BE78B08CE41D2D8D80
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| Language: | English |
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| Typology: | 1.01 - Original Scientific Article |
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| Organization: |  IJS - Jožef Stefan Institute
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| Abstract: | Copper(II) compounds exhibit interesting magnetic properties due to halide–halide, copper–halide, and intermolecular hydrogen bond interactions. In this study, seven new copper(II) bromide complexes were synthesised, six of which contain Dabco (1,4-diazabicyclo[2.2.2]octane) as a ligand. Single-crystal X-ray diffraction data were refined using both conventional spherical-atom models and a non-spherical-atom approach implemented in NoSpherA2. Magnetic properties were investigated by temperature-dependent magnetic susceptibility and field-dependent magnetisation measurements, analysed using a molecular field approximation. Crystallographic analysis shows that NoSpherA2 significantly improves the description of hydrogen atom positions, yielding C–H and N–H bond lengths closer to neutron diffraction values than conventional refinement. Magnetic measurements indicate that interactions between mononuclear copper(II) centres are determined primarily by the nature of intermolecular exchange pathways rather than copper–copper separations alone. Despite comparable Cu···Cu distances, complexes lacking N–H···Br hydrogen bonds exhibit only weak antiferromagnetic interactions, whereas stronger coupling, effective up to 150 K, is observed when such hydrogen bonds connect neighbouring complexes. These results highlight the importance of hydrogen-bond topology and three-dimensional connectivity in governing magnetic behaviour in mononuclear copper(II) systems. |
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| Keywords: | copper(II) complexes |
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| Publication status: | Published |
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| Publication version: | Version of Record |
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| Submitted for review: | 20.01.2026 |
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| Article acceptance date: | 08.02.2026 |
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| Publication date: | 11.02.2026 |
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| Publisher: | MDPI |
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| Year of publishing: | 2026 |
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| Number of pages: | str. 1-19 |
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| Numbering: | Vol. 14, iss. 2, [article no.] 54 |
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| Source: | Švica |
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| PID: | 20.500.12556/DiRROS-27572  |
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| UDC: | 546 |
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| ISSN on article: | 2304-6740 |
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| DOI: | 10.3390/inorganics14020054 |
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| COBISS.SI-ID: | 268417027 |
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| Copyright: | © 2026 by the authors |
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| Note: | Nasl. z nasl. zaslona;
Opis vira z dne 13. 2. 2026;
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| Publication date in DiRROS: | 13.02.2026 |
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| Views: | 338 |
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| Downloads: | 67 |
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