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?.

Dominant dimer emission provides colour stability for red thermally activated delayed fluorescence emitter (2022)
Journal Article
Cardeynaels, T., Etherington, M. K., Paredis, S., Batsanov, A. S., Deckers, J., Stavrou, K., …Maes, W. (2022). Dominant dimer emission provides colour stability for red thermally activated delayed fluorescence emitter. Journal of Materials Chemistry C Materials for optical and electronic devices, 10(15), https://doi.org/10.1039/d1tc04913e

Colour purity and stability in multi-donor thermally activated delayed fluorescence (TADF) emitters has significant implications for commercial organic light-emitting diode (OLED) design. The formation of emissive dimer states in the well-known 1,2,3... Read More about Dominant dimer emission provides colour stability for red thermally activated delayed fluorescence emitter.

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., …Monkman, A. 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.

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.

Pyridylpyrazole N^N Ligands Combined with Sulfonyl-Functionalised Cyclometalating Ligands for Blue-Emitting Iridium(III) Complexes and Solution-Processable PhOLEDs (2017)
Journal Article
Benjamin, H., Fox, M. A., Batsanov, A. S., Al-Attar, H. A., Li, C., Ren, Z., …Bryce, M. R. (2017). Pyridylpyrazole N^N Ligands Combined with Sulfonyl-Functionalised Cyclometalating Ligands for Blue-Emitting Iridium(III) Complexes and Solution-Processable PhOLEDs. Dalton Transactions, 46, 10996-11007. https://doi.org/10.1039/c7dt02289a

A series of blue iridium(III) complexes (12–15) comprising sulfonyl-functionalised phenylpyridyl cyclometalating ligands and pyridylpyrazole N^N ligands are reported, with an X-ray crystal structure obtained for 12. The complexes are highly emissive... Read More about Pyridylpyrazole N^N Ligands Combined with Sulfonyl-Functionalised Cyclometalating Ligands for Blue-Emitting Iridium(III) Complexes and Solution-Processable PhOLEDs.

Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties. (2011)
Journal Article
Zheng, Y., Batsanov, A., Jankus, V., Dias, F., Bryce, M., & Monkman, A. (2011). Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties. Journal of Organic Chemistry, 76(20), 8300-8310. https://doi.org/10.1021/jo201488v

This article sheds new light on the interplay of electronic and conformational effects in luminescent bipolar molecules. A series of carbazole/1,3,4-oxadiazole hybrid molecules is described in which the optoelectronic properties are systematically va... Read More about Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties..

Intramolecular charge transfer assisted by conformational changes in the excited state of fluorene-dibenzothiophene-S,S-dioxide co-oligomers (2006)
Journal Article
Dias, F., Pollock, S., Hedley, G., Palsson, L., Monkman, A., Perepichka, I., …Bryce, M. (2006). Intramolecular charge transfer assisted by conformational changes in the excited state of fluorene-dibenzothiophene-S,S-dioxide co-oligomers. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 110(39), 19329-19339. https://doi.org/10.1021/jp0643653

The strong solvatochromism observed for two fluorene-dibenzothiophene-S,S-dioxide oligomers in polar solvents has been investigated using steady-state and time-resolved fluorescence techniques. A low-energy absorption band, attributed to a charge-tra... Read More about Intramolecular charge transfer assisted by conformational changes in the excited state of fluorene-dibenzothiophene-S,S-dioxide co-oligomers.

Bridged diiridium complexes for electrophosphorescent OLEDs : synthesis, X-ray crystal structures, photophysics, and devices. (2006)
Journal Article
Bettington, S., Tavasli, M., Bryce, M., Batsanov, A., Thompson, A., Al Attar, H., …Monkman, A. (2006). Bridged diiridium complexes for electrophosphorescent OLEDs : synthesis, X-ray crystal structures, photophysics, and devices. Journal of materials chemistry, 16(11), 1046-1052. https://doi.org/10.1039/b515258e

Results are presented which challenge the accepted view that dinuclear transition metal–ligand complexes are unsuitable for organic light-emitting device (OLED) applications due to their low luminescence quantum efficiencies. We establish for the fir... Read More about Bridged diiridium complexes for electrophosphorescent OLEDs : synthesis, X-ray crystal structures, photophysics, and devices..

Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 : 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons (2002)
Journal Article
Collings, J., Roscoe, K., Robins, E., Batsanov, A., Stimson, L., Howard, J., …Marder, T. (2002). Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 : 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons. New Journal of Chemistry, 26(12), 1740-1746. https://doi.org/10.1039/b207102a

A series of 1:1 complexes of hexafluorobenzene (HFB) with naphthalene, anthracene, phenanthrene, pyrene and triphenylene were prepared and their X-ray crystal structures determined at low temperatures. Each structure contains infinite mixed stacks of... Read More about Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 : 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons.