Photoionization Dynamics of the Tetraoxo Complexes OsO₄ and RuO₄.

ABSTRACT: The photoionization dynamics of OsO₄ and RuO₄, chosen as model systems of small-size mononuclear heavy-metal complexes, has been theoretically studied by the time-dependent density functional theory (TDDFT). Accurate experimental measurements of photoionization dynamics as a benchmarking test for the theory are reported for the photoelectron asymmetry parameters of outer valence ionizations of OsO₄, measured in the 17-90 eV photon energy range. The theoretical results are in good agreement with the available experimental data. The observed dynamical behavior of partial cross sections and asymmetry parameters has been related to both the coupling to the continuum of discrete excited states, giving strong modulations in the photon energy dependency, and the a

SUBMITTER: Schio L 

PROVIDER: S-EPMC8007099 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature