<sup>187</sup>Os nuclear resonance scattering to explore hyperfine interactions and lattice dynamics for biological applications

Osmium complexes with osmium in different oxidation states (II, III, IV, VI) have been reported to exhibit antiproliferative activity in cancer cell lines. Herein, we demonstrate unexplored opportunities offered by 187Os nuclear forward scattering (NFS) and nuclear inelastic scattering (NIS) of synchrotron radiation for characterization of hyperfine interactions and lattice dynamics in a benchmark Os(VI) complex, K₂[OsO₂(OH)₄]. The isomer shift (𝛿 = 3.3(1) mm/s) relative to [OsIVCl₆]2– and quadrupole splitting (𝚫EQ = 12.0(2) mm/s) were determined with NFS. The Lamb-Mössbauer factor (0.80(4)) is estimated, the density of phonon states (DOS) is extracted, and a thermodynamics characterization was carried out using the NIS data combined with first principles calculations. Overall, this study provides evidence that 187Os nuclear resonance scattering is a reliable technique for the investigation of hyperfine interactions and Os specific vibrations in osmium(VI) species, and is thus applicable for such measurements in osmium complexes of other oxidation states, including those with anticancer activity such as Os(III) and Os(IV).

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Source https://archive.materialscloud.org/record/2024.197
Metadata Access https://archive.materialscloud.org/xml?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:2474
Provenance
Creator Stepanenko, Iryna; Huang, Zhishuo; Ungur, Liviu; Bessas, Dimitrios; Chumakov, Aleksandr; Sergueev, Ilya; Büchel, Gabriel E.; Al-Kahtani, Abdullah A.; Chibotaru, Liviu F.; Telser, Joshua; Arion, Vladimir B.
Publisher Materials Cloud
Publication Year 2024
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
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Language English
Resource Type Dataset
Discipline Materials Science and Engineering