Integrated computational and experimental design of fluorescent heteroatom-functionalised maleimide derivatives
- Jake E. Barker, Gareth W. Richings, Yujie Xie, Julia Y. Rho, Calum T. J. Ferguson, Rachel K. O'Reilly and Scott Habershon
- Publication
The bottom-up design and synthesis of organic molecular species with tailored photophysical properties stands as an important challenge to both computational and experimental chemical science. Overcoming this challenge presents the potential to usher in new tools and approaches to improve our ability to develop new technologies, such as molecular sensors and attuned molecular switches…
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Synthesis, Photophysical and Electronic Properties of a D-π-A Julolidine-Like Pyrenyl-o-Carborane
- Johannes Krebs, Lisa Brändler, Ivo Krummenacher, Alexandra Friedrich, Holger Braunschweig, Maik Finze, Basile F. E. Curchod and Todd B. Marder
- Publication
We synthesized 2-(1-1,2-dicarbadodecaboranyl(12))-6,6,12,12-tetramethyl-7,8,11,12-tetrahydro-6H,10H-phenaleno[1,9-fg]pyrido[3,2,1-ij]quinoline (4), a julolidine-like pyrenyl-o-carborane, with pyrene substituted at the 2,7-positions on the HOMO/LUMO nodal plane. Using solid state molecular structures, photophysical data, cyclic voltammetry, DFT and LR-TDDFT calculations, we compare o-carborane and B(Mes)2 (Mes=2,4,6-Me3C6H2) as acceptor groups…
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