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2. Pressure-induced comproportionation in palladium trifluorideSylwia Olszewska, Sharad Babu Pillai, Deepak Upadhyay, Kinga Zdun, Jakub Drapała, Klemen Motaln, Mirela Dragomir, Matic Lozinšek, Dominik Kurzydłowski, 2025, izvirni znanstveni članek Povzetek: Despite its seeming simple stoichiometry, palladium trifluoride (PdF3) is a mixed-valent system better formulated as PdIIPdIVF6. In an attempt to verify whether the application of high pressure (P > 1 GPa) might force this compound to form a genuine palladium(III) fluoride (PdIIIF3), a joint theoretical and experimental study on its properties at large compression was performed. Indeed, hybrid density functional calculations predict the thermodynamic preference for single-valent (comproportionated) polymorphs at pressures exceeding 30 GPa. The ambient-pressure LiSbF6-type polymorph of R3̅ symmetry was experimentally observed to transform into a triclinic P1̅ phase above 42 GPa. While this polymorph is still a mixed-valent compound PdIIPdIVF6, another phase transition, commencing at ∼50 GPa, introduces a monoclinic C2/c phase containing genuine PdIII centers. Both high-pressure polymorphs of palladium trifluoride exhibit novel structure types. Moreover, preliminary data suggest that the C2/c comproportionated structure might host strong one-dimensional antiferromagnetic exchange interactions.
Ključne besede: palladium fluoride, high pressure, comproportionation, DFT calculations
Objavljeno v DiRROS: 05.05.2025; Ogledov: 373; Prenosov: 801
 Celotno besedilo (3,01 MB)
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3. A simple cryotransfer method for 3D electron diffraction measurements of highly sensitive samplesKshitij Gurung, Erik Uran, Klemen Motaln, Petr Brázda, Kristian Radan, Matic Lozinšek, Lukáš Palatinus, 2025, izvirni znanstveni članek Ključne besede: 3D electron diffraction, cryotransfer, xenon fluorides, noble-gas compounds
Objavljeno v DiRROS: 05.05.2025; Ogledov: 227; Prenosov: 95
Celotno besedilo (7,68 MB)
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4. Reactive noble-gas compounds explored by 3D electron diffraction : XeF[sub]2–MnF[sub]4 adducts and a facile sample handling procedureKlemen Motaln, Kshitij Gurung, Petr Brázda, Anton Kokalj, Kristian Radan, Mirela Dragomir, Boris Žemva, Lukáš Palatinus, Matic Lozinšek, 2024, izvirni znanstveni članek Ključne besede: compounds, 3D electron diffraction
Objavljeno v DiRROS: 17.04.2025; Ogledov: 232; Prenosov: 85
Celotno besedilo (5,45 MB)
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