All Outputs (42)

Oxidation State Tuning of Room Temperature Phosphorescence and Delayed Fluorescence in Phenothiazine and Phenothiazine‐5,5‐dioxide Dimers (2023)
Journal Article
Wright, I. A., Etherington, M. K., Batsanov, A. S., Monkman, A. P., & Bryce, M. R. (2023). Oxidation State Tuning of Room Temperature Phosphorescence and Delayed Fluorescence in Phenothiazine and Phenothiazine‐5,5‐dioxide Dimers. Chemistry - A European Journal, 29(30), Article e202300428. https://doi.org/10.1002/chem.202300428

Heterocyclic dimers consisting of combinations of butterfly-shaped phenothiazine (PTZ) and its chemically oxidized form phenothiazine-5,5-dioxide (PTZ(SO2)) have been synthesized. A twist is imposed across the dimers by ortho-substituents including m... Read More about Oxidation State Tuning of Room Temperature Phosphorescence and Delayed Fluorescence in Phenothiazine and Phenothiazine‐5,5‐dioxide Dimers.

Fine‐Tuning the Photophysics of Donor‐Acceptor (D‐A 3 ) Thermally Activated Delayed Fluorescence Emitters Using Isomerisation (2022)
Journal Article
L. dos Santos, P., de Sa Pereira, D., Eng, J., Ward, J. S., Bryce, M. R., Penfold, T. J., & Monkman, A. P. (2023). Fine‐Tuning the Photophysics of Donor‐Acceptor (D‐A 3 ) Thermally Activated Delayed Fluorescence Emitters Using Isomerisation. ChemPhotoChem, 7(2), Article e202200248. https://doi.org/10.1002/cptc.202200248

Here two D–A3 regioisomers, comprising three dibenzothiophene-S,S-dioxide acceptor units attached to a central triazatruxene core, are studied. Both molecules show thermally activated delayed fluorescence (TADF), however, the efficiency of the TADF m... Read More about Fine‐Tuning the Photophysics of Donor‐Acceptor (D‐A 3 ) Thermally Activated Delayed Fluorescence Emitters Using Isomerisation.

Intramolecular Hydrogen Bonding in Thermally Activated Delayed Fluorescence Emitters: Is There Evidence Beyond Reasonable Doubt? (2022)
Journal Article
Hempe, M., Kukhta, N. A., Danos, A., Batsanov, A. S., Monkman, A. P., & Bryce, M. R. (2022). Intramolecular Hydrogen Bonding in Thermally Activated Delayed Fluorescence Emitters: Is There Evidence Beyond Reasonable Doubt?. Journal of Physical Chemistry Letters, 13(35), 8221-8227. https://doi.org/10.1021/acs.jpclett.2c00907

Intramolecular hydrogen bonding between donor and acceptor segments in thermally activated delayed fluorescence (TADF) materials is now frequently employed to─purportedly─rigidify the structure and improve the emission performance of these materials.... Read More about Intramolecular Hydrogen Bonding in Thermally Activated Delayed Fluorescence Emitters: Is There Evidence Beyond Reasonable Doubt?.

TADF dendronized polymer with vibrationally enhanced direct spin-flip between charge-transfer states for efficient non-doped solution-processed OLEDs (2022)
Journal Article
Li, C., Harrison, A. K., Liu, Y., Zhao, Z., Dias, F. B., Zeng, C., …Ren, Z. (2022). TADF dendronized polymer with vibrationally enhanced direct spin-flip between charge-transfer states for efficient non-doped solution-processed OLEDs. Chemical Engineering Journal, 435, Article 134924. https://doi.org/10.1016/j.cej.2022.134924

A novel type of thermally activated delayed fluorescence (TADF) dendronized polymer was designed and synthesized. Firstly, one side of the asymmetric TADF unit was encapsulated by 3,6-di-tert-butylcarbazole via a conjugated linkage with strong twiste... Read More about TADF dendronized polymer with vibrationally enhanced direct spin-flip between charge-transfer states for efficient non-doped solution-processed OLEDs.

Asymmetrical‐Dendronized TADF Emitters for Efficient Non‐doped Solution‐Processed OLEDs by Eliminating Degenerate Excited States and Creating Solely Thermal Equilibrium Routes (2022)
Journal Article
Li, C., Harrison, A. K., Liu, Y., Zhao, Z., Zeng, C., Dias, F. B., …Bryce, M. R. (2022). Asymmetrical‐Dendronized TADF Emitters for Efficient Non‐doped Solution‐Processed OLEDs by Eliminating Degenerate Excited States and Creating Solely Thermal Equilibrium Routes. Angewandte Chemie International Edition, 61(19), Article e202115140. https://doi.org/10.1002/anie.202115140

Two asymmetric “half-dendronized” and “half-dendronized-half-encapsulated” TADF emitters eliminate degenerate excited states, assuring a solely thermal equilibrium route for an effective spin-flip process. AEE properties can minimize the exciton quen... Read More about Asymmetrical‐Dendronized TADF Emitters for Efficient Non‐doped Solution‐Processed OLEDs by Eliminating Degenerate Excited States and Creating Solely Thermal Equilibrium Routes.

Vibrational Damping Reveals Vibronic Coupling in Thermally Activated Delayed Fluorescence Materials (2021)
Journal Article
Hempe, M., Kukhta, N. A., Danos, A., Fox, M. A., Batsanov, A. S., Monkman, A. P., & Bryce, M. R. (2021). Vibrational Damping Reveals Vibronic Coupling in Thermally Activated Delayed Fluorescence Materials. Chemistry of Materials, 33(9), 3066-3080. https://doi.org/10.1021/acs.chemmater.0c03783

We investigate a series of D–A molecules consisting of spiro[acridan-9,9′-fluorene] as the donor and 2-phenylenepyrimidine as the acceptor. In two of the materials, a spiro center effectively electronically isolates the D unit from (consequently) opt... Read More about Vibrational Damping Reveals Vibronic Coupling in Thermally Activated Delayed Fluorescence Materials.

Conformational Dependence of Triplet Energies in Rotationally Hindered N‐ and S‐Heterocyclic Dimers: New Design and Measurement Rules for High Triplet Energy OLED Host Materials (2021)
Journal Article
Wright, I. A., Danos, A., Montanaro, S., Batsanov, A. S., Monkman, A. P., & Bryce, M. R. (2021). Conformational Dependence of Triplet Energies in Rotationally Hindered N‐ and S‐Heterocyclic Dimers: New Design and Measurement Rules for High Triplet Energy OLED Host Materials. Chemistry - A European Journal, 27(21), 6545-6556. https://doi.org/10.1002/chem.202100036

A series of four heterocyclic dimers has been synthesized, with twisted geometries imposed across the central linking bond by ortho‐alkoxy chains. These include two isomeric bicarbazoles, a bis(dibenzothiophene‐S,S‐dioxide) and a bis(thioxanthene‐S,S... Read More about Conformational Dependence of Triplet Energies in Rotationally Hindered N‐ and S‐Heterocyclic Dimers: New Design and Measurement Rules for High Triplet Energy OLED Host Materials.

Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation (2020)
Journal Article
Hempe, M., Harrison, A. K., Ward, J. S., Batsanov, A. S., Fox, M. A., Dias, F. B., & Bryce, M. R. (2021). Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation. Journal of Organic Chemistry, 86(1), 429-445. https://doi.org/10.1021/acs.joc.0c02174

The synthetic methodology to covalently link donors to form cyclophane-based thermally activated delayed fluorescence (TADF) molecules is presented. These are the first reported examples of TADF cyclophanes with “electronically innocent” bridges betw... Read More about Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation.

Unusual dual-emissive heteroleptic iridium complexes incorporating TADF cyclometalating ligands (2020)
Journal Article
Benjamin, H., Zheng, Y., Kozhevnikov, V. N., Siddle, J. S., O'Driscoll, L. J., Fox, M. A., …Bryce, M. R. (2020). Unusual dual-emissive heteroleptic iridium complexes incorporating TADF cyclometalating ligands. Dalton Transactions, 49(7), 2190-2208. https://doi.org/10.1039/c9dt04672k

Five new neutral heteroleptic iridium(III) complexes IrL2(pic) (2–6) based on the archetypical blue emitter FIrpic have been synthesised. The cyclometallating ligands L are derived from 2-(2,6-F2-3-pyridyl)-4-mesitylpyridine (7), 2-(3-cyano-2,6-F2-ph... Read More about Unusual dual-emissive heteroleptic iridium complexes incorporating TADF cyclometalating ligands.

Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor (2019)
Journal Article
Huang, R., Kukhta, N., Ward, J., Danos, A., Batsanov, A., Bryce, M., & Dias, F. (2019). Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor. Journal of Materials Chemistry C Materials for optical and electronic devices, 7(42), 13224-13234. https://doi.org/10.1039/c9tc02175b

Manipulation of the emission properties of deep-blue emitters exhibiting thermally activated delayed fluorescence (TADF) through molecular design is challenging. We present an effective strategy to probe deeper into the role of localized (LE) and cha... Read More about Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor.

Achieving Conformational Control in RTP and TADF Emitters by Functionalization of the Central Core (2019)
Journal Article
Kukhta, N., Huang, R., Batsanov, A., Bryce, M., & Dias, F. (2019). Achieving Conformational Control in RTP and TADF Emitters by Functionalization of the Central Core. Journal of Physical Chemistry C, 123(43), 26536-26546. https://doi.org/10.1021/acs.jpcc.9b08238

Three new symmetrical donor–acceptor–donor (D–A–D)-type molecules were prepared with phenothiazine (PTZ) as electron donors and 9,9-dimethylthioxanthene (TX) as the electron acceptor. The PTZ groups are attached at different positions on the acceptor... Read More about Achieving Conformational Control in RTP and TADF Emitters by Functionalization of the Central Core.

Molecular Design Strategies for Color Tuning of Blue TADF Emitters (2019)
Journal Article
Stachelek, P., Ward, J. S., dos Santos, P. L., Danos, A., Colella, M., Haase, N., …Brook, P. (2019). Molecular Design Strategies for Color Tuning of Blue TADF Emitters. ACS Applied Materials and Interfaces, 11(30), 27125-27133. https://doi.org/10.1021/acsami.9b06364

New thermally activated delayed fluorescence (TADF) blue emitter molecules based on the known donor−acceptor−donor (D−A−D)- type TADF molecule, 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethylthioxanthene- S,S-dioxide (DDMA-TXO2), are reported. The mo... Read More about Molecular Design Strategies for Color Tuning of Blue TADF Emitters.

Delayed Blue Fluorescence via Upper-triplet State Crossing from C-C Bonded Donor-Acceptor Charge-Transfer Molecules with Azatriangulene cores (2019)
Journal Article
Ward, J., Kukhta, N., Dos Santos, P., Congrave, D., Batsanov, A., Monkman, A., & Bryce, M. (2019). Delayed Blue Fluorescence via Upper-triplet State Crossing from C-C Bonded Donor-Acceptor Charge-Transfer Molecules with Azatriangulene cores. Chemistry of Materials, 31(17), 6684-6695. https://doi.org/10.1021/acs.chemmater.9b01184

We report the synthesis and structural and photophysical characterization of two series of molecules with functionalized azatriangulene electron donor cores and three pendant electron acceptor units. The presented donor and acceptor units are joined... Read More about Delayed Blue Fluorescence via Upper-triplet State Crossing from C-C Bonded Donor-Acceptor Charge-Transfer Molecules with Azatriangulene cores.

Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials (2019)
Journal Article
Etherington, M. K., Kukhta, N. A., Higginbotham, H. F., Danos, A., Bismillah, A. N., Graves, D. R., …Monkman, A. P. (2019). Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. Journal of Physical Chemistry C, 123(17), 11109-11117. https://doi.org/10.1021/acs.jpcc.9b01458

We expose significant changes in emission color of carbazole-based thermally activated delayed fluorescence (TADF) emitters that arise through the presence of persistent dimer states in thin films and organic light-emitting diodes(OLEDs). Direct phot... Read More about Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.

Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters (2018)
Journal Article
Kukhta, N. A., Batsanov, A. S., Bryce, M. R., & Monkman, A. P. (2018). Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters. Journal of Physical Chemistry C, 122(50), 28564-28575. https://doi.org/10.1021/acs.jpcc.8b10867

Four new symmetrical donor–acceptor–donor (D–A–D)-type molecules are reported with diphenylamine (DPA) or 10,11-dihydro-5H-dibenz[b,f]azepine (Az) as electron donors and 9,9-dimethylthioxanthene-S,S-dioxide (TXO2) as the electron acceptor. The donors... Read More about Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters.

Intramolecular Charge Transfer Controls Switching Between Room Temperature Phosphorescence and Thermally Activated Delayed Fluorescence (2018)
Journal Article
Chen, C., Huang, R., Batsanov, A., Pander, P., Hsu, Y., Chi, Z., …Bryce, M. R. (2018). Intramolecular Charge Transfer Controls Switching Between Room Temperature Phosphorescence and Thermally Activated Delayed Fluorescence. Angewandte Chemie, 130(50), 16645-16649. https://doi.org/10.1002/ange.201809945

Chemical modification of phenothiazine–benzophenone derivatives is shown to tune the emission behavior from triplet states by selecting the molecular geometry of the intramolecular charge transfer (ICT) state. A fundamental principle of planar ICT (P... Read More about Intramolecular Charge Transfer Controls Switching Between Room Temperature Phosphorescence and Thermally Activated Delayed Fluorescence.

Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence (2018)
Journal Article
Ward, J. S., Nobuyasu, R. S., Fox, M. A., Batsanov, A. S., Santos, J., Dias, F. B., & Bryce, M. R. (2018). Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence. Journal of Organic Chemistry, 83(23), 14431-14442. https://doi.org/10.1021/acs.joc.8b02187

The synthesis of 1-methylphenoxazine via CO2-directed lithiation chemistry is reported. This electron donor was coupled with 2,8-dibenzothiophene-S,S-dioxide with Buchwald–Hartwig chemistry to give a new D–A–D charge-transfer fluorescent molecule 1b.... Read More about Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence.

The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores (2018)
Journal Article
Huang, R., Ward, J. S., Kukhta, N. A., Avó, J., Gibson, J., Penfold, T., …Dias, F. B. (2018). The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores. Journal of Materials Chemistry C Materials for optical and electronic devices, 10(34), 9238-9247. https://doi.org/10.1039/c8tc02987c

A series of novel donor–acceptor–donor (D–A–D) compounds featuring dibenzothiophene (DBT) and phenothiazine (PTZ) units are presented. A different degree of steric hindrance between the donor and acceptor fragments is achieved by the systematic chang... Read More about The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores.

Triazatruxene: A rigid central donor unit for a D-A3 thermally activated delayed fluorescence material exhibiting sub-microsecond reverse intersystem crossing and unity quantum yield via multiple singlet-triplet state pairs (2018)
Journal Article
dos Santos, P. L., Ward, J. S., Congrave, D. G., Batsanov, A. S., Eng, J., Stacey, J. E., …Bryce, M. R. (2018). Triazatruxene: A rigid central donor unit for a D-A3 thermally activated delayed fluorescence material exhibiting sub-microsecond reverse intersystem crossing and unity quantum yield via multiple singlet-triplet state pairs. Advanced Science, 5(6), Article 1700989. https://doi.org/10.1002/advs.201700989

By inverting the common structural motif of thermally activated delayed fluorescence materials to a rigid donor core and multiple peripheral acceptors, reverse intersystem crossing (rISC) rates are demonstrated in an organic material that enables uti... Read More about Triazatruxene: A rigid central donor unit for a D-A3 thermally activated delayed fluorescence material exhibiting sub-microsecond reverse intersystem crossing and unity quantum yield via multiple singlet-triplet state pairs.

Thermally Activated Delayed Fluorescence in Cu(I) Complexes Originating from Restricted Molecular Vibrations (2017)
Journal Article
Li, G., Nobuyasu, R., Zhang, B., Geng, Y., Yao, B., Xie, Z., …Bryce, M. (2017). Thermally Activated Delayed Fluorescence in Cu(I) Complexes Originating from Restricted Molecular Vibrations. Chemistry - A European Journal, 23(49), 11761-11766. https://doi.org/10.1002/chem.201701862

The mechanism of thermally activated delayed fluorescence (TADF) in molecules in aggregated or condensed solid states has been rarely studied and is not well understood. Nevertheless, many applications of TADF emitters are strongly affected by their... Read More about Thermally Activated Delayed Fluorescence in Cu(I) Complexes Originating from Restricted Molecular Vibrations.