Nuclear resonance scattering of synchrotron radiation by K<sub>2</sub>[<sup>187</sup>OsO<sub>2</sub>(OH)<sub>4</sub>]: hyperfine interaction and lattice dynamics characterization

POSTER

Abstract

With nuclear forward scattering (NFS) and nuclear inelastic scattering (NIS) of synchrotron radiation on 187Os nuclear, the benchmark osmium specific hyperfine interaction and thermodynamic characterization of potassium osmate, K2[187OsO2(OH)4], is analyzed. Nuclear forward scattering (NFS) and nuclear inelastic scattering (NIS) of synchrotron radiation by the low-lying nuclear level of 187Os in K2[187OsO2(OH)4] was investigated. From NFS spectra the isomeric shift, and quadrupole splitting of 12.10 ± 0.05 mm/s were determined. In addition, we performed NIS spectroscopy with a 1-meV resolution and extracted the density of phonon states in the Os (VI) compound, which have been confirmed by first principle theoretical calculations. The results provide strong evidence that NFS is a reliable technique for investigation of hyperfine interactions in osmium (VI) species, and might be potentially applicable for measuring such interactions in osmium complexes of different oxidation states, including those with anticancer activity.

*The European Synchrotron Radiation Facility is acknowledged for providing synchrotron radiation beam time at the Nuclear Resonance beamline ID18.The technical assistance of Mr. J.-P. Celse is acknowledged during the beamtime at ESRF.V.B.A. and G.E.B. are thankful to Karl Mayer Stiftung (Triesen, Liechtenstein) and Valüna Stiftung (Vaduz, Liechtenstein) for financial support in purchasing 187Os. Z. Huang and U. Liviu acknowledge the financial support of the research projects A-800079-00-00 and A-8000017-00-00 of the National University of Singapore.Ab initio calculations were done on the ASPIRE-2A cluster (www.nscc.sg) under projects 11001278 and 51000267.The computational resources of the HPC-NUS are gratefully acknowledged.

Publication: I. Stepanenko, Z. Huang, L. Ungur, D. Bessas, A. Chumakov, I. Sergueev, G. E. Büchel, L. Chibotaru, J. Telser, V. B. Arion, Nuclear resonance scattering of synchrotron radiation by K2[187OsO2(OH)4]: hyperfine interaction and lattice dynamics characterization. To be submitted.

Presenters

  • Zhishuo Huang

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

Authors

  • Zhishuo Huang

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

  • Iryna Stepanenko

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

  • Liviu Ungur

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

  • Dimitrios Bessas

    • European Synchrotron Radiation Facility (ESRF), B.P. 220, F-38043 Grenoble Cedex, France

  • Aleksandr Chumakov

    • European Synchrotron Radiation Facility (ESRF), B.P. 220, F-38043 Grenoble Cedex, France

  • Ilya Sergueev

    • Deutsches Elektronen Synchrotron D-22607 Hamburg, Germany

  • Gabriel E. Büchel

    • ChemConsult GmbH, PO Box 43, 9485 Nendeln, Liechtenstein

  • Liviu Cibotaru

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

  • Joshua Telser

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

  • Vladimir B. Arion

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