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.

Transition from Tunneling Leakage Current to Molecular Tunneling in Single-Molecule Junctions (2018)
Journal Article
Liu, J., Zhao, X., Zheng, J., Huang, X., Tang, Y., Wang, F., …Hong, W. (2019). Transition from Tunneling Leakage Current to Molecular Tunneling in Single-Molecule Junctions. Chem, 5(2), 390-401. https://doi.org/10.1016/j.chempr.2018.11.002

The tunneling leakage current will be a major quantum obstacle during miniaturization in the semiconductor industry down to the scale of several nanometers. At this scale, to promote charge transport and overcome the tunneling leakage current between... Read More about Transition from Tunneling Leakage Current to Molecular Tunneling in Single-Molecule Junctions.

AIE Multinuclear Ir(III) Complexes for Biocompatible Organic Nanoparticles with Highly Enhanced Photodynamic Performance (2018)
Journal Article
Zhang, L., Li, Y., Che, W., Zhu, D., Li, G., Xie, Z., …Bryce, M. R. (2019). AIE Multinuclear Ir(III) Complexes for Biocompatible Organic Nanoparticles with Highly Enhanced Photodynamic Performance. Advanced Science, 6(5), Article 1802050. https://doi.org/10.1002/advs.201802050

The singlet oxygen (1O2) generation ability of a photosensitizer (PS) is pivotal for photodynamic therapy (PDT). Transition metal complexes are effective PSs, owing to their high 1O2 generation ability. However, non‐negligible cellular toxicity, poor... Read More about AIE Multinuclear Ir(III) Complexes for Biocompatible Organic Nanoparticles with Highly Enhanced Photodynamic Performance.

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.

Thermoelectric Properties of 2,7-Dipyridylfluorene Derivatives in Single-Molecule Junctions (2018)
Journal Article
Yzambart, G., Rincón-García, L., Al-Jobory, A. A., Ismael, A. K., Rubio-Bollinger, G., Lambert, C. J., …Bryce, M. R. (2018). Thermoelectric Properties of 2,7-Dipyridylfluorene Derivatives in Single-Molecule Junctions. Journal of Physical Chemistry C, 122(48), 27198-27204. https://doi.org/10.1021/acs.jpcc.8b08488

A series of 2,7-dipyridylfluorene derivatives have been synthesized with different substituents (2H, 2Me, 2OMe, 2CF3, and O) at the C(9) position. Experimental measurements on gold|single-molecule|gold junctions, using a modified scanning tunneling m... Read More about Thermoelectric Properties of 2,7-Dipyridylfluorene Derivatives in Single-Molecule Junctions.

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.

Highly luminescent 2-phenylpyridine-free diiridium complexes with bulky 1,2-diarylimidazole cyclometalating ligands (2018)
Journal Article
Congrave, D. G., Batsanov, A. S., & Bryce, M. R. (2018). Highly luminescent 2-phenylpyridine-free diiridium complexes with bulky 1,2-diarylimidazole cyclometalating ligands. Dalton Transactions, 47(46), 16524-16533. https://doi.org/10.1039/c8dt04043e

While a number of highly emissive dinuclear Ir(III) complexes have been reported, they have generally been restricted to structures based on 2-phenylpyridine (Hppy) cyclometalates. We now present a series of new hydrazide-bridged diiridium complexes... Read More about Highly luminescent 2-phenylpyridine-free diiridium complexes with bulky 1,2-diarylimidazole cyclometalating ligands.

New Mixed-C^N Ligand Tris-cyclometalated Ir(III) Complexes for Highly-Efficient Green Organic Light-Emitting Diodes with Low Efficiency Roll-off (2018)
Journal Article
Ma, X., Liang, J., Bai, F., Ye, K., Xu, J., Zhu, D., & Bryce, M. R. (2018). New Mixed-C^N Ligand Tris-cyclometalated Ir(III) Complexes for Highly-Efficient Green Organic Light-Emitting Diodes with Low Efficiency Roll-off. European Journal of Inorganic Chemistry, 2018(42), 4614-4621. https://doi.org/10.1002/ejic.201800550

This article reports new tris‐cyclometalated Ir complexes containing mixed‐C^N ligands, (C^N1)2Ir(C^N2), which are a rarely explored class of Ir(III) complexes. Two new mixed 2‐phenylpyridine (ppy) / 4‐methyl‐2,5‐diphenylpyridine (mdp) complexes (ppy... Read More about New Mixed-C^N Ligand Tris-cyclometalated Ir(III) Complexes for Highly-Efficient Green Organic Light-Emitting Diodes with Low Efficiency Roll-off.

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.

Polyurethane Derivatives for Highly Sensitive and Selective Fluorescent Detection of 2,4,6-Trinitrophenol (TNP) (2018)
Journal Article
Jiang, N., Li, G., Che, W., Zhu, D., Su, Z., & Bryce, M. R. (2018). Polyurethane Derivatives for Highly Sensitive and Selective Fluorescent Detection of 2,4,6-Trinitrophenol (TNP). Journal of Materials Chemistry C Materials for optical and electronic devices, 42(6), 11287-11291. https://doi.org/10.1039/c8tc04250k

A series of luminescent non-conjugated polyurethane derivatives (PUs) has been obtained in a facile way in high yields. The polymers show highly selective and sensitive detection of 2,4,6-trinitrophenol (TNP) (picric acid). The selectivity for TNP is... Read More about Polyurethane Derivatives for Highly Sensitive and Selective Fluorescent Detection of 2,4,6-Trinitrophenol (TNP).

Intramolecular Pi-Pi Interactions with a Chiral Auxiliary Ligand Control Diastereoselectivity in a Cyclometalated Ir(III) Complex (2018)
Journal Article
Congrave, D. G., Batsanov, A. S., Du, M., Liu, Y., Zhu, D., & Bryce, M. R. (2018). Intramolecular Pi-Pi Interactions with a Chiral Auxiliary Ligand Control Diastereoselectivity in a Cyclometalated Ir(III) Complex. Inorganic Chemistry, 57(20), 12836-12849. https://doi.org/10.1021/acs.inorgchem.8b02034

The application of a chiral auxiliary ligand to control the diastereoselectivity in the synthesis of a cyclometalated iridium(III) complex is presented. The diastereomeric iridium(III) complexes 1a and 1b are reported, in which a phenoxyoxazoline aux... Read More about Intramolecular Pi-Pi Interactions with a Chiral Auxiliary Ligand Control Diastereoselectivity in a Cyclometalated Ir(III) Complex.

Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative (2018)
Journal Article
Montanaro, S., Wright, I. A., Batsanov, A. S., & Bryce, M. R. (2018). Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative. Journal of Organic Chemistry, 83(19), 12320-12326. https://doi.org/10.1021/acs.joc.8b02029

Triply fused 1,3-diazepine derivatives have been obtained by acidic reduction of rotationally locked and sterically hindered nitro groups in the presence of an aldehyde or ketone. The nitro groups are sited on adjacent rings of a dicyanodibenzothioph... Read More about Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.

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.

Heteroatom-Induced Molecular Asymmetry Tunes Quantum Interference in Charge Transport through Single-Molecule Junctions (2018)
Journal Article
Yang, Y., Gantenbein, M., Alqorashi, A., Wei, J., Sangtarash, S., Hu, D., …Bryce, M. R. (2018). Heteroatom-Induced Molecular Asymmetry Tunes Quantum Interference in Charge Transport through Single-Molecule Junctions. Journal of Physical Chemistry C, 122(26), 14965-14970. https://doi.org/10.1021/acs.jpcc.8b03023

We studied the interplay between quantum interference (QI) and molecular asymmetry in charge transport through a single molecule. Eight compounds with five-membered core rings were synthesized, and their single-molecule conductances were characterize... Read More about Heteroatom-Induced Molecular Asymmetry Tunes Quantum Interference in Charge Transport through Single-Molecule Junctions.

Aggregation-Induced Long-Lived Phosphorescence in Non-Conjugated Polyurethane Derivatives at 77 K (2018)
Journal Article
Jiang, N., Li, G., Zhang, B., Zhu, D., Su, Z., & Bryce, M. (2018). Aggregation-Induced Long-Lived Phosphorescence in Non-Conjugated Polyurethane Derivatives at 77 K. Macromolecules, 51(11), 4178-4184. https://doi.org/10.1021/acs.macromol.8b00715

Achieving long-persistent phosphorescence in polymers is a challenge even at low temperatures. In this work, long-persistent phosphorescence (>1 s) is observed in nonconjugated polyurethane derivatives at 77 K, which is among the longest reported pho... Read More about Aggregation-Induced Long-Lived Phosphorescence in Non-Conjugated Polyurethane Derivatives at 77 K.

Conformationally-Restricted Bicarbazoles with Phenylene Bridges Displaying Deep-Blue Emission and High Triplet Energies: Systematic Structure–Property Relationships (2018)
Journal Article
Wright, I., Al-Attar, H., Batsanov, A., Monkman, A., & Bryce, M. (2018). Conformationally-Restricted Bicarbazoles with Phenylene Bridges Displaying Deep-Blue Emission and High Triplet Energies: Systematic Structure–Property Relationships. Physical Chemistry Chemical Physics, 20(17), 11867-11875. https://doi.org/10.1039/c8cp01636d

The synthesis is reported of twelve new symmetrical carbazole dimers in which the carbazole units are linked via 1,4-phenylene spacers. There are two distinct series of compounds based on the position on the carbazole ring where the phenylene spacer... Read More about Conformationally-Restricted Bicarbazoles with Phenylene Bridges Displaying Deep-Blue Emission and High Triplet Energies: Systematic Structure–Property Relationships.

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.

Selective sensing of 2,4,6-trinitrophenol (TNP) in aqueous media with “aggregation-induced emission enhancement” (AIEE)-active iridium(III) complexes (2018)
Journal Article
Che, W., Li, G., Liu, X., Shao, K., Zhu, D., Su, Z., & Bryce, M. (2018). Selective sensing of 2,4,6-trinitrophenol (TNP) in aqueous media with “aggregation-induced emission enhancement” (AIEE)-active iridium(III) complexes. Chemical Communications, 54(14), 1730-1733. https://doi.org/10.1039/c7cc08832a

A series of new phosphorescent cyclometalated iridium(III) complexes which possess aggregation-induced emission enhancement (AIEE) detect 2,4,6-trinitrophenol (TNP) selectively with high quenching constants in aqueous media. The sensing mechanism was... Read More about Selective sensing of 2,4,6-trinitrophenol (TNP) in aqueous media with “aggregation-induced emission enhancement” (AIEE)-active iridium(III) complexes.

Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π–π stacking (2018)
Journal Article
Congrave, D. G., Hsu, Y., Batsanov, A. S., Beeby, A., & Bryce, M. R. (2018). Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π–π stacking. Dalton Transactions, 47(6), 2086-2098. https://doi.org/10.1039/c7dt04201a

The potential of intramolecular π–π interactions to influence the photophysical properties of diiridium complexes is an unexplored topic, and provides the motivation for the present study. A series of diarylhydrazide-bridged diiridium complexes funct... Read More about Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π–π stacking.