articleChemPhysChemJun 24, 2016HYBRID OA

The Importance of Vibronic Coupling for Efficient Reverse Intersystem Crossing in Thermally Activated Delayed Fluorescence Molecules

JGJamie GibsonAPAndrew P. MonkmanTJThomas J. Penfold

Newcastle University · Durham University

PubMed
Indexed incrossrefpubmed

Abstract

Abstract Factors influencing the rate of reverse intersystem crossing ( k rISC ) in thermally activated delayed fluorescence (TADF) emitters are critical for improving the efficiency and performance of third‐generation heavy‐metal‐free organic light‐emitting diodes (OLEDs). However, present understanding of the TADF mechanism does not extend far beyond a thermal equilibrium between the lowest singlet and triplet states and consequently research has focused almost exclusively on the energy gap between these two states. Herein, we use a model spin‐vibronic Hamiltonian to reveal the crucial role of non‐Born‐Oppenheimer effects in determining k rISC . We demonstrate that vibronic (nonadiabatic) coupling between…

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722
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Authors

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Topics & keywords

Topics
Keywords
  • Intersystem crossing
  • Vibronic coupling
  • OLED
  • Singlet state
  • Chemistry
  • Photochemistry
  • Molecular physics
  • Coupling (piping)
UN Sustainable Development Goals
  • Affordable and clean energy
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