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Vibronic absorption spectra of the angular fused bisindolo- and biscarbazoloanthracene blue fluorophores for OLED applications
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2018 (English)In: Chemical Physics, ISSN 0301-0104, E-ISSN 1873-4421, Vol. 513, p. 105-111Article in journal (Refereed) Published
Abstract [en]

An in-depth analysis of the vibronic absorption spectra for the recently synthesized blue-fluorescent OLED emitters bis[(1,2)(5,6)]indoloanthracene and biscarbazolo[3,4-a:3′,4′-h]anthracene has been carried out computationally at the density functional theory level within the Franck-Condon approximation. These molecules are characterized by extended and rich electronic absorption spectra with most absorption bands being of vibronic origin. The first excited singlet state of bis[(1,2)(5,6)]indoloanthracene compound demonstrates a clear observable double-peak vibronic progression for two different active modes in the absorption spectrum, while the S2 state is vibronically inactive. In contrast, for the larger biscarbazolo[3,4-a:3′,4′-h]anthracene compound the S0 → S2 transition demonstrates well-resolved intense vibronic bands which overlap the less intense progressions of few modes in the S0 → S1 transition. We have also found, that even the higher-lying and very intense S0 → S4 and S0 → S5 transitions for bis[(1,2)(5,6)]indoloanthracene and biscarbazolo[3,4-a:3′,4′-h]anthracene, respectively, are characterized by clear vibronic progressions in excellent agreement with experimental spectra.

Place, publisher, year, edition, pages
Elsevier, 2018. Vol. 513, p. 105-111
Keywords [en]
Franck-Condon approximation, OLED, Vibronic spectra, Biscarbazoloanthracene, Bisindoloanthracene
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:uu:diva-362152DOI: 10.1016/j.chemphys.2018.07.023ISI: 000444622300017OAI: oai:DiVA.org:uu-362152DiVA, id: diva2:1252514
Funder
Carl Tryggers foundation , CTS 17:514Available from: 2018-10-02 Created: 2018-10-02 Last updated: 2018-10-22Bibliographically approved

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Publisher's full texthttp://www.sciencedirect.com/science/article/pii/S0301010418304403

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Ågren, Hans

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