Sökning: id:"swepub:oai:DiVA.org:kth-236013" >
Vibronic absorption...
Vibronic absorption spectra of the angular fused bisindolo- and biscarbazoloanthracene blue fluorophores for OLED applications
-
- Baryshnikov, Gleb V. (författare)
- KTH,Teoretisk kemi och biologi,Tomsk State Univ, 36 Lenin Ave, Tomsk, Russia.
-
- Sunchugashev, Dmitry A. (författare)
- Tomsk State Univ, 36 Lenin Ave, Tomsk, Russia.
-
- Valiev, Rashid R. (författare)
- Tomsk State Univ, 36 Lenin Ave, Tomsk, Russia.
-
visa fler...
-
- Minaev, Boris F. (författare)
- KTH,Teoretisk kemi och biologi
-
- Ågren, Hans (författare)
- Uppsala universitet,KTH,Albanova VinnExcellence Center for Protein Technology, ProNova,Molekyl- och kondenserade materiens fysik
-
visa färre...
-
(creator_code:org_t)
- Elsevier, 2018
- 2018
- Engelska.
-
Ingår i: Chemical Physics. - : Elsevier. - 0301-0104 .- 1873-4421. ; 513, s. 105-111
- Relaterad länk:
-
http://www.sciencedi...
-
visa fler...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
https://urn.kb.se/re...
-
visa färre...
Abstract
Ämnesord
Stäng
- 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 S-2 state is vibronically inactive. In contrast, for the larger biscarbazolo[3,4-a:3',4'-h]anthracene compound the S-0 -> S-2 transition demonstrates well-resolved intense vibronic bands which overlap the less intense progressions of few modes in the S-0 -> S-1 transition. We have also found, that even the higher-lying and very intense S-0 -> S-4 and S-0 -> S-5 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.
Ämnesord
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
Nyckelord
- Franck-Condon approximation
- OLED
- Vibronic spectra
- Biscarbazoloanthracene
- Bisindoloanthracene
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas