| Title: | Molecular dynamics in tetrafluoridoborate salts of divalent metals studied by nuclear magnetic resonance spectroscopy |
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| Authors: | ID Gradišek, Anton, Institut "Jožef Stefan" (Author)
ID Radan, Kristian, Institut "Jožef Stefan" (Author)
ID Lozinšek, Matic, Institut "Jožef Stefan" (Author) |
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| Files: |  URL - Source URL, visit https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202500721
 PDF - Presentation file, download (643,06 KB)
MD5: A8070D54517A7B7315BC3A9D47EA8691
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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: | Fluoridoborate (BF4−) salts are linchpins across synthesis and catalysis, key constituents of ionic liquids, and promising electro-lytes and additives in next-generation multivalent rechargeable batteries. Despite this reach, quantitative links between crystalchemistry and anion motion remain scarce. Here, we present a molecular dynamics study of four such salts, namely M(BF4 ) 2(M = Ca 2+, Sr 2+, Ba 2+, Cd2+), by means of nuclear magnetic resonance spectroscopy (NMR). We measured the temperature depen-dence of static 19 F NMR spectra and spin-lattice relaxation and determined the values of activation energies for the thermally-activated reorientations for the BF4− tetrahedra. We draw a comparison with systems with similar geometries, such as thewell-studied complex metal borohydrides. |
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| Keywords: | fluorides, metal tetrafluoridoborates, molecular dynamics, nuclear magnetic resonance spectroscopy |
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| Publication status: | Published |
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| Publication version: | Version of Record |
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| Submitted for review: | 09.10.2025 |
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| Article acceptance date: | 23.12.2025 |
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| Publication date: | 05.03.2026 |
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| Publisher: | Wiley |
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| Year of publishing: | 2026 |
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| Number of pages: | str. 1-7 |
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| Numbering: | Vol. 27, iss. 5 [article no.] 202500721 |
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| Source: | Nemčija |
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| PID: | 20.500.12556/DiRROS-28297  |
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| UDC: | 544 |
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| ISSN on article: | 1439-7641 |
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| DOI: | 10.1002/cphc.202500721 |
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| COBISS.SI-ID: | 271502339 |
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| Copyright: | © 2026 The Author(s). |
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| Note: | Nasl. z nasl. zaslona;
Opis vira z dne 12. 3. 2026;
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| Publication date in DiRROS: | 13.03.2026 |
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| Views: | 39 |
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| Downloads: | 26 |
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