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Journal ArticleDOI

Dual intramolecular charge-transfer fluorescence derived from a phenothiazine-triphenyltriazine derivative

TLDR
In this article, a material containing a phenothiazine (PTZ) electron donor unit and 2,4,6-triphenyl-1,3,5-triazine (TRZ) acceptor unit, PTZ-TRZ, which exhibits thermally activated delayed fluorescence (TADF) was developed.
Abstract
A material containing a phenothiazine (PTZ) electron donor unit and 2,4,6-triphenyl-1,3,5-triazine (TRZ) electron acceptor unit, PTZ-TRZ, which exhibits thermally activated delayed fluorescence (TADF) was developed. Density functional theory calculations revealed the existence of two ground-state conformers with different energy gaps between the lowest singlet excited state and lowest triplet excited state (1.14 and 0.18 eV), which resulted from the distortion of PTZ, as confirmed by X-ray structure analysis. PTZ-TRZ in toluene solution showed two broad, structureless emissions, confirming the existence of two different excited states. From detailed analyses of the absorption and photoluminescence spectra, we determined that both emissions were intramolecular charge-transfer (ICT) fluorescence. Therefore, the excited-state conformers of PTZ-TRZ resulted in dual ICT fluorescence. Because previously reported dual fluorescence from single molecules involves locally excited and ICT fluorescence, the dual ICT ...

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Citations
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Journal ArticleDOI

Recent advances in organic thermally activated delayed fluorescence materials.

TL;DR: This review summarizes and discusses the latest progress concerning this rapidly developing research field, in which the majority of the reported TADF systems are discussed, along with their derived structure-property relationships, TadF mechanisms and applications.
Journal ArticleDOI

Purely Organic Thermally Activated Delayed Fluorescence Materials for Organic Light-Emitting Diodes.

TL;DR: A comprehensive review of TADF materials is presented, with a focus on linking their optoelectronic behavior with the performance of the organic light-emitting diode (OLED) and related EL devices.
Journal ArticleDOI

Molecular Design Strategy of Organic Thermally Activated Delayed Fluorescence Emitters

TL;DR: In this article, the authors reviewed molecular design strategies of organic-based TADF emitters by classifying them into several categories depending on the material parameters required for the TADFs.
Journal ArticleDOI

White‐Light Emission Strategy of a Single Organic Compound with Aggregation‐Induced Emission and Delayed Fluorescence Properties

TL;DR: By purposefully selecting the two parent molecules, that is, O2C (blue) and O2P (yellow), the white-light emission of OPC can be achieved in a single molecule, providing a feasible molecular strategy to design new AIE-DF white- light-emitting organic molecules.
Journal ArticleDOI

Thermally Activated Delayed Fluorescence and Aggregation Induced Emission with Through-Space Charge Transfer.

TL;DR: Crystal structures revealed π-π intramolecular interactions between a donor and an acceptor, however, the dominant intermolescular interactions were C-H···π, which likely restrict the molecular dynamics to create aggregation-induced enhanced emission.
References
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Journal ArticleDOI

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

TL;DR: In this paper, a detailed study of correlation effects in the oxygen atom was conducted, and it was shown that primitive basis sets of primitive Gaussian functions effectively and efficiently describe correlation effects.
Journal ArticleDOI

Quantum mechanical continuum solvation models.

TL;DR: This paper presents a meta-modelling procedure called "Continuum Methods within MD and MC Simulations 3072", which automates the very labor-intensive and therefore time-heavy and expensive process of integrating discrete and continuous components into a discrete-time model.
Journal ArticleDOI

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

TL;DR: In this article, a new hybrid exchange-correlation functional named CAM-B3LYP is proposed, which combines the hybrid qualities of B3LYP and the long-range correction presented by Tawada et al.
Journal ArticleDOI

Zwischenmolekulare Energiewanderung und Fluoreszenz

Th. Förster
- 01 Jan 1948 - 
TL;DR: In this article, a quantenmechanische behandlung des Ubergangs von Elektronenanregungsenergie zwischen gleichartigen Molekulen in Losung gegeben.
Journal ArticleDOI

Highly efficient organic light-emitting diodes from delayed fluorescence

TL;DR: A class of metal-free organic electroluminescent molecules in which the energy gap between the singlet and triplet excited states is minimized by design, thereby promoting highly efficient spin up-conversion from non-radiative triplet states to radiative singlet states while maintaining high radiative decay rates.
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