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A Deep Blue B,N-Doped Heptacene Emitter That Shows Both Thermally Activated Delayed Fluorescence and Delayed Fluorescence by Triplet–Triplet Annihilation

Title data

Suresh, Subeesh Madayanad ; Duda, Eimantas ; Hall, David ; Yao, Zhen ; Bagnich, Sergey ; Slawin, Alexandra M. Z. ; Bässler, Heinz ; Beljonne, David ; Buck, Manfred ; Olivier, Yoann ; Köhler, Anna ; Zysman-Colman, Eli:
A Deep Blue B,N-Doped Heptacene Emitter That Shows Both Thermally Activated Delayed Fluorescence and Delayed Fluorescence by Triplet–Triplet Annihilation.
In: Journal of the American Chemical Society. Vol. 142 (2020) Issue 14 . - pp. 6588-6599.
ISSN 1520-5126
DOI: https://doi.org/10.1021/jacs.9b13704

Abstract in another language

An easy-to-access, near-UV-emitting linearly extended B,N-doped heptacene with high thermal stability is designed and synthesized in good yields. This compound exhibits thermally activated delayed fluorescence (TADF) at ambient temperature from a multiresonant (MR) state and represents a rare example of a non-triangulene-based MR-TADF emitter. At lower temperatures triplet–triplet annihilation dominates. The compound simultaneously possesses narrow, deep-blue emission with CIE coordinates of (0.17, 0.01). While delayed fluorescence results mainly from triplet–triplet annihilation at lower temperatures in THF solution, where aggregates form upon cooling, the TADF mechanism takes over around room temperature in solution when the aggregates dissolve or when the compound is well dispersed in a solid matrix. The potential of our molecular design to trigger TADF in larger acenes is demonstrated through the accurate prediction of ΔEST using correlated wave-function-based calculations. On the basis of these calculations, we predicted dramatically different optoelectronic behavior in terms of both ΔEST and the optical energy gap of two constitutional isomers where only the boron and nitrogen positions change. A comprehensive structural, optoelectronic, and theoretical investigation is presented. In addition, the ability of the achiral molecule to assemble on a Au(111) surface to a highly ordered layer composed of enantiomorphic domains of racemic entities is demonstrated by scanning tunneling microscopy.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Experimental Physics II - Optoelectronics of Soft Matter
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Experimental Physics II - Optoelectronics of Soft Matter > Chair Experimental Physics II - Optoelectronics of Soft Matter - Univ.-Prof. Dr. Anna Köhler
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 15 Oct 2020 08:33
Last Modified: 15 Oct 2020 08:33
URI: https://eref.uni-bayreuth.de/id/eprint/58396