Iryna Stepanenko^1,2, Zhishuo Huang^3*, Liviu Ungur^3*, Dimitrios Bessas⁴, Aleksandr Chumakov⁴, Ilya Sergueev⁵, Gabriel E. Büchel⁶, Abdullah A. Al-Kahtani⁷, Liviu F. Chibotaru^8*, Joshua Telser^9*, Vladimir B. Arion^1*

1 University of Vienna, Institute of Inorganic Chemistry, Währinger Strasse 42, 1090 Vienna, Austria

2 Institute of Science and Technology Austria (ISTA), Am Campus 1, A-3400 Klosterneuburg, Austria

3 Department of Chemistry, National University of Singapore, Block S8 Level 3, 3 Science Drive 3, 117543, Singapore

4 European Synchrotron Radiation Facility, F-38043 Grenoble, France

5 Deutsches Elektronen Synchrotron D-22607 Hamburg, Germany

6 ChemConsult GmbH, P.O. Box 43, 9485 Nendeln, Liechtenstein

7 Chemistry Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia

8 Theory of Nanomaterials Group, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium

9 Department of Biological, Physical and Health Sciences, Roosevelt University, 430 S. Michigan Avenue, Chicago, Illinois 60605, USA

* Corresponding authors emails: zhishuohuang@gmail.com, chmlu@nus.edu.sg, liviu.chibotaru@kuleuven.be, jtelser@roosevelt.edu, vladimir.arion@univie.ac.at

DOI10.24435/materialscloud:x4-fp [version v1]

Publication date: Dec 10, 2024

How to cite this record

Iryna Stepanenko, Zhishuo Huang, Liviu Ungur, Dimitrios Bessas, Aleksandr Chumakov, Ilya Sergueev, Gabriel E. Büchel, Abdullah A. Al-Kahtani, Liviu F. Chibotaru, Joshua Telser, Vladimir B. Arion, ¹⁸⁷Os nuclear resonance scattering to explore hyperfine interactions and lattice dynamics for biological applications, Materials Cloud Archive 2024.197 (2024), https://doi.org/10.24435/materialscloud:x4-fp

Description

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 [Os^IVCl₆]^2– and quadrupole splitting (𝚫E_Q = 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).

Materials Cloud sections using this data

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README.txt MD5md5:adc3f4494f53e0838a50054b30513a7f	2.2 KiB	README file
Data4Reproduction_Os1.zip MD5md5:3be88fdbce6c78a80b0ef439dbc033a2	18.4 MiB	Data file

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Keywords

Nuclear resonance scattering Hyperfine interactions Lattice dynamics