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Dr Andrei Batsanov's Outputs (100)

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., Raynes, S. J., Batsanov, A. S., Bryce, M. R., Monkman, A. P., & 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.

Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry (2019)
Journal Article
Parker, D., Suturina, E., Harnden, A., Batsanov, A., Fox, M., Mason, K., Vonci, M., McInnes, E., & Chilton, N. (2019). Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry. Angewandte Chemie, 131(30), 10936-10400. https://doi.org/10.1002/anie.201906031

In two closely related series of eight‐coordinate lanthanide complexes, a switch in the sign of the dominant ligand field parameter and striking variations in the sign, amplitude and orientation of the main component of the magnetic susceptibility te... Read More about Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry.

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.

Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes (2019)
Journal Article
Adhikary, A., Akhtar, S., Pariyar, A., Batsanov, A. S., & Mondal, R. (2019). Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes. ACS Omega, 4(5), 8731-8738. https://doi.org/10.1021/acsomega.8b03400

The present article deals with an one-to-one structure–property correspondence of a dinuclear iron complex, [Dipic(H2O)FeOH]2·H2O (1) (Dipic = pyridine-2,6-dicarboxylic acid). Variable-temperature X-ray single-crystal structural analysis confirms a p... Read More about Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.

­­Paramagnetic Lanthanide NMR Probes Signalling Changes in Zinc Concentration by Emission and Chemical Shift: A Proof of Concept Study (2019)
Journal Article
Parker, D., Harnden, A. C., & Batsanov, A. S. (2019). ­­Paramagnetic Lanthanide NMR Probes Signalling Changes in Zinc Concentration by Emission and Chemical Shift: A Proof of Concept Study. Angewandte Chemie, 25(24), 6212-6225. https://doi.org/10.1002/chem.201900609

A zinc‐selective probe, based on a set of rare earth complexes of a modified DO3A macrocyclic ligand incorporating a tris‐pyridylamine (TPA) moiety has been structurally characterised in solution and in the solid‐state. One pyridine group possesses a... Read More about ­­Paramagnetic Lanthanide NMR Probes Signalling Changes in Zinc Concentration by Emission and Chemical Shift: A Proof of Concept Study.

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., McGonigal, P. R., Haase, N., Morherr, A., Batsanov, A. S., Pflumm, C., Bhalla, V., Bryce, M. 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.

Activated niobium and tantalum imido complexes: from tuneable polymerization to selective ethylene dimerization systems (2019)
Journal Article
Messinis, A., Batsanov, A., Howard, J., Hanton, M., & Dyer, P. W. (2019). Activated niobium and tantalum imido complexes: from tuneable polymerization to selective ethylene dimerization systems. ChemCatChem, 11(6), 1756-1764. https://doi.org/10.1002/cctc.201801849

The niobium and tantalum imido complexes [CpMCl2(NDipp)], [MCl3(NR)(dme)] (R = tBu, Ph, 2,6‐iPr2C6H3 (Dipp), and Mes), and [TaCl3(NDipp)(tmeda)] were tested in combination with EtAlCl2 for the dimerization of ethylene. The niobium systems afforded di... Read More about Activated niobium and tantalum imido complexes: from tuneable polymerization to selective ethylene dimerization systems.

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.

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.

Bis(imido) tungsten complexes: efficient pre-catalysts for the homogeneous dimerization of ethylene (2018)
Journal Article
Messinis, A., Batsanov, A. S., Wright, W. R., Howard, J. A., Hanton, M. J., & Dyer, P. W. (2018). Bis(imido) tungsten complexes: efficient pre-catalysts for the homogeneous dimerization of ethylene. ACS Catalysis, 8(12), 11249-11263. https://doi.org/10.1021/acscatal.8b02202

The ethylene dimerization performance of a range of bis(imido)tungsten pre-catalysts, after activation with aluminum co-catalysts, has been assessed. The best performing system achieved an activity of 409,410 (mol C2H4)(mol W)–1h–1 [79.6 wt% 1-butene... Read More about Bis(imido) tungsten complexes: efficient pre-catalysts for the homogeneous dimerization of ethylene.

Approaches to Styrenyl Building Blocks for the Synthesis of Polyene Xanthomonadin and its Analogues (2018)
Journal Article
Madden, K., Laroche, B., David, S., Batsanov, A., Thompson, D., Knowles, J., & Whiting, A. (2018). Approaches to Styrenyl Building Blocks for the Synthesis of Polyene Xanthomonadin and its Analogues. European Journal of Organic Chemistry, 2018(38), 5312-5322. https://doi.org/10.1002/ejoc.201800540

A number of aryl building blocks for the synthesis of two xanthomonadin natural product pigments, as well as a related analogue, were accessed using a divergent hydroboration/bromoboration approach from a key alkynyl intermediate. A new approach towa... Read More about Approaches to Styrenyl Building Blocks for the Synthesis of Polyene Xanthomonadin and its Analogues.

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., Lima, J. C., Batsanov, A. S., Berberan-Santos, M. N., Bryce, M. R., & 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.

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.

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.