Extended curly arrow rules to rationalise and predict structural effects on quantum interference in molecular junctions (2021)
Journal Article
O'Driscoll, L. J., & Bryce, M. R. (2021). Extended curly arrow rules to rationalise and predict structural effects on quantum interference in molecular junctions. Nanoscale, 13(2), 1103-1123. https://doi.org/10.1039/d0nr07819k

The ability to easily and reliably predict quantum interference (QI) behaviour would facilitate the design of functional molecular wires with potential applications in switches, transistors and thermoelectric devices. A variety of predictive methods... Read More about Extended curly arrow rules to rationalise and predict structural effects on quantum interference in molecular junctions.

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.

Resonance-enhanced charge delocalization in carbazole-oligoyne-oxadiazole conjugates (2020)
Journal Article
Zieleniewska, A., Zhao, X., Bauroth, S., Wang, C., Batsanov, A., Calderson, C., …Guldi, D. (2020). Resonance-enhanced charge delocalization in carbazole-oligoyne-oxadiazole conjugates. Journal of the American Chemical Society, 142(44), 18769-18781. https://doi.org/10.1021/jacs.0c04003

There are notably few literature reports of electron donor-acceptor oligoynes although they offer unique opportunities for studying charge transport through ‘all-carbon’ molecular bridges. In this context, the current study focuses on a series of car... Read More about Resonance-enhanced charge delocalization in carbazole-oligoyne-oxadiazole conjugates.

Dual emission in purely organic materials for optoelectronic applications (2020)
Journal Article
Kukhta, N. A., & Bryce, M. R. (2021). Dual emission in purely organic materials for optoelectronic applications. Materials Horizons, 8(1), 33-55. https://doi.org/10.1039/d0mh01316a

Purely organic molecules, which emit light by dual emissive (DE) pathways, have received increased attention in the last decade. These materials are now being utilized in practical optoelectronic, sensing and biomedical applications. In order to furt... Read More about Dual emission in purely organic materials for optoelectronic applications.

Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives (2020)
Journal Article
Dekkiche, H., Gemma, A., Tabatabaei, F., Batsanov, A. S., Niehaus, T., Gotsmann, B., & Bryce, M. R. (2020). Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives. Nanoscale, 12(36), 18908-18917. https://doi.org/10.1039/d0nr04413j

We report the synthesis and the single-molecule transport properties of three new oligo(phenyleneethynylene) (OPE3) derivatives possessing terminal dihydrobenzo[b]thiophene (DHBT) anchoring groups and various core substituents (phenylene, 2,5-dimetho... Read More about Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives.

Supramolecular oligourethane gel as a highly selective fluorescent “on–off–on” sensor for ions (2020)
Journal Article
Feng, Y., Jiang, N., Zhu, D., Su, Z., & Bryce, M. R. (2020). Supramolecular oligourethane gel as a highly selective fluorescent “on–off–on” sensor for ions. Journal of Materials Chemistry C Materials for optical and electronic devices, 8(33), 11540-11545. https://doi.org/10.1039/d0tc02381g

Stimuli-responsive supramolecular gels (SRSGs) are an important class of smart materials. It is of practical importance to develop an SRSG which can both detect and remove toxic metal ions. We have designed and synthesized an aggregation induced emis... Read More about Supramolecular oligourethane gel as a highly selective fluorescent “on–off–on” sensor for ions.

Exploring the thermoelectric properties of oligo(phenylene-ethynylene) derivatives (2020)
Journal Article
Chen, H., Sangtarash, S., Li, G., Gantenbein, M., Cao, W., Alqorashi, A., …Hong, W. (2020). Exploring the thermoelectric properties of oligo(phenylene-ethynylene) derivatives. Nanoscale, 12(28), 15150-15156. https://doi.org/10.1039/d0nr03303k

Seebeck coefficient measurements provide unique insights into the electronic structure of single-molecule junctions, which underpins their charge and heat transport properties. Since the Seebeck coefficient depends on the slope of the transmission fu... Read More about Exploring the thermoelectric properties of oligo(phenylene-ethynylene) derivatives.

Supramolecular Oligourethane Gel with Multicolor Luminescence Controlled by Mechanically Sensitive Hydrogen-Bonding (2020)
Journal Article
Jiang, N., Ruan, S., Liu, X., Zhu, D., Li, B., & Bryce, M. R. (2020). Supramolecular Oligourethane Gel with Multicolor Luminescence Controlled by Mechanically Sensitive Hydrogen-Bonding. Chemistry of Materials, 32(13), 5776-5784. https://doi.org/10.1021/acs.chemmater.0c01620

We report a new type of mechanically sensitive multicolor luminescent oligourethane gel (OUA-gel). The conformation of the oligomeric chains can be controlled by changing the strength of hydrogen bonds. The optical properties of the oligomers are hig... Read More about Supramolecular Oligourethane Gel with Multicolor Luminescence Controlled by Mechanically Sensitive Hydrogen-Bonding.

Connectivity dependent thermopower of bridged biphenyl molecules in single-molecule junctions (2020)
Journal Article
Grace, I. M., Olsen, G., Hurtado-Gallego, J., Rincón-García, L., Rubio-Bollinger, G., Bryce, M. R., …Lambert, C. J. (2020). Connectivity dependent thermopower of bridged biphenyl molecules in single-molecule junctions. Nanoscale, 12(27), 14682-14688. https://doi.org/10.1039/d0nr04001k

We report measurements on gold|single-molecule|gold junctions, using a modified scanning tunneling microscope-break junction (STM-BJ) technique, of the Seebeck coefficient and electrical conductance of a series of bridged biphenyl molecules, with met... Read More about Connectivity dependent thermopower of bridged biphenyl molecules in single-molecule junctions.

Blue-emitting thermoreversible oligourethane gelators with aggregation-induced emission properties (2020)
Journal Article
Jiang, N., Zhu, D., Su, Z., & Bryce, M. R. (2020). Blue-emitting thermoreversible oligourethane gelators with aggregation-induced emission properties. Journal of Materials Chemistry C Materials for optical and electronic devices, 8(15), 5137-5142. https://doi.org/10.1039/d0tc00757a

Blue-emitting gels are scarce, especially oligomeric/polymeric systems. Here, a series of 4,4′-sulfonyldiphenol (SDP) based oligourethane derivatives (OUs), namely OUHDI, OUHMDI and OUTDI based on 1,6-hexamethylene diisocyanate, 4,4′-methylenebis(cyc... Read More about Blue-emitting thermoreversible oligourethane gelators with aggregation-induced emission properties.

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.

Bright red aggregation-induced emission nanoparticles for multifunctional applications in cancer therapy (2020)
Journal Article
Zhang, L., Che, W., Yang, Z., Liu, X., Liu, S., Xie, Z., …Bryce, M. R. (2020). Bright red aggregation-induced emission nanoparticles for multifunctional applications in cancer therapy. Chemical Science, 11(9), 2369-2374. https://doi.org/10.1039/c9sc06310b

Developing multifunctional photosensitizers (PSs) is needed to effectively simplify cancer treatment, but it remains a big challenge. Here, two red-emitting AIE-active, donor–acceptor (D–A) PSs with small ΔEST and their AIE nanoparticles, are rationa... Read More about Bright red aggregation-induced emission nanoparticles for multifunctional applications in cancer therapy.

Dinuclear metal complexes: multifunctional properties and applications (2020)
Journal Article
Li, G., Zhu, D., Wang, X., Su, Z., & Bryce, M. R. (2020). Dinuclear metal complexes: multifunctional properties and applications. Chemical Society Reviews, 49(3), 765-838. https://doi.org/10.1039/c8cs00660a

The development of metal complexes for optoelectronic applications is a fertile area of research. In contrast to the rigorous development of mononuclear metal complexes, dinuclear species have been less well studied and their fundamental chemistry an... Read More about Dinuclear metal complexes: multifunctional properties and applications.

Carbazole‐Based Tetrapodal Anchor Groups for Gold Surfaces: Synthesis and Conductance Properties (2019)
Journal Article
Bryce, M. R., O'Driscoll, L., Wang, X., Jay, M., Batsanov, A., Sadeghi, H., …Robinson, B. (2020). Carbazole‐Based Tetrapodal Anchor Groups for Gold Surfaces: Synthesis and Conductance Properties. Angewandte Chemie International Edition, 59(2), 882-889. https://doi.org/10.1002/anie.201911652

As the field of molecular‐scale electronics matures and the prospect of devices incorporating molecular wires becomes more feasible, it is necessary to progress from the simple anchor groups used in fundamental conductance studies to more elaborate a... Read More about Carbazole‐Based Tetrapodal Anchor Groups for Gold Surfaces: Synthesis and Conductance Properties.

Reversible tricolour luminescence switching based on a piezochromic iridium(iii) complex (2019)
Journal Article
Yang, T., Wang, Y., Liu, X., Li, G., Che, W., Zhu, D., …Bryce, M. R. (2019). Reversible tricolour luminescence switching based on a piezochromic iridium(iii) complex. Chemical Communications, 55(97), 14582-14585. https://doi.org/10.1039/c9cc08545a

On the basis of rational molecular design, the tricolour luminescence switching of an Ir(III) complex is achieved for the first time. The transformation between two crystalline states and an amorphous state is responsible for the switching behaviour... Read More about Reversible tricolour luminescence switching based on a piezochromic iridium(iii) complex.

Exploring antiaromaticity in single-molecule junctions formed from biphenylene derivatives (2019)
Journal Article
Gantenbein, M., Li, X., Sangtarash, S., Bai, J., Olsen, G., Alqorashi, A., …Bryce, M. R. (2019). Exploring antiaromaticity in single-molecule junctions formed from biphenylene derivatives. Nanoscale, 11(43), 20659-20666. https://doi.org/10.1039/c9nr05375a

We report the synthesis of a series of oligophenylene-ethynylene (OPE) derivatives with biphenylene core units, designed to assess the effects of biphenylene antiaromaticity on charge transport in molecular junctions. Analogues with naphthalene, anth... Read More about Exploring antiaromaticity in single-molecule junctions formed from biphenylene derivatives.

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.

Strategic modification of ligands for remarkable piezochromic luminescence (PCL) based on a neutral Ir(iii) phosphor (2019)
Journal Article
Li, D., Li, G., Xie, J., Zhu, D., Su, Z., & Bryce, M. R. (2019). Strategic modification of ligands for remarkable piezochromic luminescence (PCL) based on a neutral Ir(iii) phosphor. Journal of Materials Chemistry C Materials for optical and electronic devices, 7(35), 10876-10880. https://doi.org/10.1039/c9tc03646f

A new aggregation-induced emission (AIE)-active neutral Ir(III) complex has been rationally designed and synthesized by introducing carboxyl and F substituents into the ancillary and cyclometalating ligands, respectively, to construct different kinds... Read More about Strategic modification of ligands for remarkable piezochromic luminescence (PCL) based on a neutral Ir(iii) phosphor.

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.