Fluorescence via Reverse Intersystem Crossing from Higher Triplet States in a Bisanthracene Derivative

Abstract To elucidate the high external quantum efficiency observed for organic light-emitting diodes using a bisanthracene derivative (BD1), non-radiative transition processes as well as radiative ones are discussed employing time-dependent density functional theory. It has been previously reported...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Tohru Sato, Rika Hayashi, Naoki Haruta, Yong-Jin Pu
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/978653d273474d1bbf622d2acbdca488
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:978653d273474d1bbf622d2acbdca488
record_format	dspace
spelling	oai:doaj.org-article:978653d273474d1bbf622d2acbdca4882021-12-02T12:32:20ZFluorescence via Reverse Intersystem Crossing from Higher Triplet States in a Bisanthracene Derivative10.1038/s41598-017-05007-72045-2322https://doaj.org/article/978653d273474d1bbf622d2acbdca4882017-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-05007-7https://doaj.org/toc/2045-2322Abstract To elucidate the high external quantum efficiency observed for organic light-emitting diodes using a bisanthracene derivative (BD1), non-radiative transition processes as well as radiative ones are discussed employing time-dependent density functional theory. It has been previously reported that the observed high external quantum efficiency of BD1 cannot be explained by the conventional thermally activated delayed fluorescence involving T1 exciton nor triplet-triplet annihilation. The calculated off-diagonal vibronic coupling constants of BD1, which govern the non-radiative transition rates, suggest a fluorescence via higher triplets (FvHT) mechanism, which entails the conversion of a high triplet exciton generated during electrical excitation into a fluorescent singlet exciton. This mechanism is valid as long as the relaxation of high triplet states to lower states is suppressed. In the case of BD1, its pseudo-degenerate electronic structure helps the suppression. A general condition is also discussed for the suppression of transitions in molecules with pseudo-degenerate electronic structures.Tohru SatoRika HayashiNaoki HarutaYong-Jin PuNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-9 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Tohru Sato Rika Hayashi Naoki Haruta Yong-Jin Pu Fluorescence via Reverse Intersystem Crossing from Higher Triplet States in a Bisanthracene Derivative
description	Abstract To elucidate the high external quantum efficiency observed for organic light-emitting diodes using a bisanthracene derivative (BD1), non-radiative transition processes as well as radiative ones are discussed employing time-dependent density functional theory. It has been previously reported that the observed high external quantum efficiency of BD1 cannot be explained by the conventional thermally activated delayed fluorescence involving T1 exciton nor triplet-triplet annihilation. The calculated off-diagonal vibronic coupling constants of BD1, which govern the non-radiative transition rates, suggest a fluorescence via higher triplets (FvHT) mechanism, which entails the conversion of a high triplet exciton generated during electrical excitation into a fluorescent singlet exciton. This mechanism is valid as long as the relaxation of high triplet states to lower states is suppressed. In the case of BD1, its pseudo-degenerate electronic structure helps the suppression. A general condition is also discussed for the suppression of transitions in molecules with pseudo-degenerate electronic structures.
format	article
author	Tohru Sato Rika Hayashi Naoki Haruta Yong-Jin Pu
author_facet	Tohru Sato Rika Hayashi Naoki Haruta Yong-Jin Pu
author_sort	Tohru Sato
title	Fluorescence via Reverse Intersystem Crossing from Higher Triplet States in a Bisanthracene Derivative
title_short	Fluorescence via Reverse Intersystem Crossing from Higher Triplet States in a Bisanthracene Derivative
title_full	Fluorescence via Reverse Intersystem Crossing from Higher Triplet States in a Bisanthracene Derivative
title_fullStr	Fluorescence via Reverse Intersystem Crossing from Higher Triplet States in a Bisanthracene Derivative
title_full_unstemmed	Fluorescence via Reverse Intersystem Crossing from Higher Triplet States in a Bisanthracene Derivative
title_sort	fluorescence via reverse intersystem crossing from higher triplet states in a bisanthracene derivative
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/978653d273474d1bbf622d2acbdca488
work_keys_str_mv	AT tohrusato fluorescenceviareverseintersystemcrossingfromhighertripletstatesinabisanthracenederivative AT rikahayashi fluorescenceviareverseintersystemcrossingfromhighertripletstatesinabisanthracenederivative AT naokiharuta fluorescenceviareverseintersystemcrossingfromhighertripletstatesinabisanthracenederivative AT yongjinpu fluorescenceviareverseintersystemcrossingfromhighertripletstatesinabisanthracenederivative
_version_	1718394108929638400

Fluorescence via Reverse Intersystem Crossing from Higher Triplet States in a Bisanthracene Derivative

Ejemplares similares