| Naslov: | Molecular dynamics in tetrafluoridoborate salts of divalent metals studied by nuclear magnetic resonance spectroscopy |
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| Avtorji: | ID Gradišek, Anton, Institut "Jožef Stefan" (Avtor)
ID Radan, Kristian, Institut "Jožef Stefan" (Avtor)
ID Lozinšek, Matic, Institut "Jožef Stefan" (Avtor) |
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| Datoteke: |  URL - Izvorni URL, za dostop obiščite https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202500721
 PDF - Predstavitvena datoteka, prenos (643,06 KB)
MD5: A8070D54517A7B7315BC3A9D47EA8691
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| Jezik: | Angleški jezik |
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| Tipologija: | 1.01 - Izvirni znanstveni članek |
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| Organizacija: |  IJS - Institut Jožef Stefan
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| Povzetek: | 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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| Ključne besede: | fluorides, metal tetrafluoridoborates, molecular dynamics, nuclear magnetic resonance spectroscopy |
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| Status publikacije: | Objavljeno |
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| Verzija publikacije: | Objavljena publikacija |
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| Poslano v recenzijo: | 09.10.2025 |
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| Datum sprejetja članka: | 23.12.2025 |
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| Datum objave: | 05.03.2026 |
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| Založnik: | Wiley |
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| Leto izida: | 2026 |
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| Št. strani: | str. 1-7 |
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| Številčenje: | Vol. 27, iss. 5 [article no.] 202500721 |
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| Izvor: | Nemčija |
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| PID: | 20.500.12556/DiRROS-28297  |
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| UDK: | 544 |
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| ISSN pri članku: | 1439-7641 |
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| DOI: | 10.1002/cphc.202500721 |
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| COBISS.SI-ID: | 271502339 |
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| Avtorske pravice: | © 2026 The Author(s). |
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| Opomba: | Nasl. z nasl. zaslona;
Opis vira z dne 12. 3. 2026;
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| Datum objave v DiRROS: | 13.03.2026 |
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| Število ogledov: | 49 |
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| Število prenosov: | 30 |
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| Metapodatki: |    |
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