Three-State-Involving Vibronic Resonance Is a Key to Enhancing Reverse Intersystem Crossing Dynamics of Organoboron-Based Ultrapure Blue Emitters

Inkoo Kim; Kwuang Hyun Cho; Soon Ok Jeon; Won-Joon Son; Dongwook Kim; Young Min Rhee; Inkook Jang; Hyeonho Choi; Dae Sin Kim

doi:10.26434/chemrxiv.12413417.v1

Theoretical and Computational Chemistry

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Three-State-Involving Vibronic Resonance Is a Key to Enhancing Reverse Intersystem Crossing Dynamics of Organoboron-Based Ultrapure Blue Emitters

04 June 2020, Version 1

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Abstract

In organoboron OLED emitter DABNA, vibronic resonance strongly enhances reverse intersystem crossing rate even with a sizable T1-S1 energy gap. The resonance is peculiar in that the vibrational frequency has to match both (1) the T1-S1 energy gap and (2) the T1-T3 nonadiabatic coupling oscillation frequency. This three-state involving resonance is a result of combination of T1-T3-S1 superexchange and T1-T3 non-Condon coupling.

Keywords

DABNA

OLED

vibronic resonance

reverse intersystem crossing

thermally activated delayed fluorescence

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Three States Involving Vibronic Resonance is a Key to Enhancing Reverse Intersystem Crossing Dynamics of an Organoboron-Based Ultrapure Blue Emitter

Inkoo Kim, Kwang Hyun Cho, Soon Ok Jeon, Won-Joon Son, Dongwook Kim, Young Min Rhee, Inkook Jang, Hyeonho Choi, Dae Sin Kim journal article

JACS Au , Volume 1, Issue 7

Online publication date: Jun 03, 2021

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Jun 04, 2020 Version 1

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The content is available under CC BY NC ND 4.0

DOI

10.26434/chemrxiv.12413417.v1

Author’s competing interest statement

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Three-State-Involving Vibronic Resonance Is a Key to Enhancing Reverse Intersystem Crossing Dynamics of Organoboron-Based Ultrapure Blue Emitters

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