Excited states of polonium(iv ): electron correlation and spin–orbit coupling in the Po4+ free ion and in the bare and solvated [PoCl5]− and [PoCl6]2− complexes
Physical Chemistry Chemical Physics(2023)
Abstract
We report a study of the electronic absorption properties of chlorinated Po( iv ) complexes by means of multireference quantum mechanical calculations, revealing the potential occurrence of two species for solutions with high HCl concentration.
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Key words
excited states,electron correlation,spin–orbit coupling
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