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- W2894749372 endingPage "296" @default.
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- W2894749372 abstract "This book chapter gives a brief overview over quantum chemical methods for computing rate constants of radiative and nonradiative molecular excited-state processes and summarizes recent theoretical research on the photophysics of metalfree as well as copper-containing thermally activated delayed fluorescence (TADF) emitters. The methods for computing temperature-dependent intersystem crossing (ISC) and reverse intersystem crossing (rISC) rate constants focus on Fermi golden rule expressions whereas fluorescence and phosphorescence rate constants are determined employing multi-reference spin–orbit configuration interaction approaches. TADF and phosphorescence are competitive in many copper(I) complexes whereas TADF dominates in metal-free donor–acceptor systems. In addition to a small singlet–triplet energy splitting, spin-vibronic interactions are found to play an essential role in the ISC and rISC processes of metal-free TADF emitters." @default.
- W2894749372 created "2018-10-12" @default.
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- W2894749372 date "2018-10-05" @default.
- W2894749372 modified "2023-10-16" @default.
- W2894749372 title "Intersystem Crossing Processes in TADF Emitters" @default.
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