Spin-Orbit Coupling in Phosphorescent Iridium(III) Complexes
نویسندگان
چکیده
منابع مشابه
Predicting phosphorescent lifetimes and zero-field splitting of organometallic complexes with time-dependent density functional theory including spin-orbit coupling.
The (photo)physical properties of organometallic complexes are crucially affected by relativistic effects. In a non- or scalar-relativistic picture, triplet states are threefold degenerate. Spin-orbit coupling lifts this degeneracy (zero-field splitting, ZFS) and enables phosphorescence from the three triplet-like states to the ground state. The fine structure and radiative lifetimes of phospho...
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ژورنال
عنوان ژورنال: ChemPhysChem
سال: 2011
ISSN: 1439-4235
DOI: 10.1002/cphc.201100397