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Identification of vibrational excitations and optical transitions of the organic electron donor tetraphenyldibenzoperiflanthene (DBP) / Gaël Rouillé; Tino Kirchhuebel; Marcel Rink; Marco Gruenewald; Jörg Kröger; Roman Forker and Torsten Fritz

Tetraphenyldibenzoperiflanthene (DBP) attracts interest as an organic electron donor for photovoltaic applications. In order to assist in the analysis of vibrational and optical spectra measured during the formation of thin films of DBP, we have studied the vibrational modes and the electronic state... Full description

PPN (Catalogue-ID): 839459785
Journal Title: Physical chemistry, chemical physics
Personen: Rouillé, Gaël
Kirchhübel, Tino
Rink, Marcel
Grünewald, Marco
Kröger, Jörg
Forker, Roman
Fritz, Torsten
Format: Article Article
Language: English
Published: 2015
Notes: Parallel als Druckausg. erschienen.
Enthaltenes Werk
Gesamtaufnahme:
In Physical chemistry, chemical physics Cambridge : RSC Publ, 1999 , 17(2015), 45, Seite 30404-30416
ISSN: 1463-9084

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245 1 0 |a Identification of vibrational excitations and optical transitions of the organic electron donor tetraphenyldibenzoperiflanthene (DBP)  |c Gaël Rouillé; Tino Kirchhuebel; Marcel Rink; Marco Gruenewald; Jörg Kröger; Roman Forker and Torsten Fritz 
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520 |a Tetraphenyldibenzoperiflanthene (DBP) attracts interest as an organic electron donor for photovoltaic applications. In order to assist in the analysis of vibrational and optical spectra measured during the formation of thin films of DBP, we have studied the vibrational modes and the electronic states of this molecule. Information on the vibrational modes of the electronic ground state has been obtained by IR absorption spectroscopy of DBP grains embedded in polyethylene and CsI pellets and by calculations using density functional theory (DFT). Electronic transitions have been measured by UV/vis absorption spectroscopy applied to DBP molecules isolated in rare-gas matrices. These measurements are compared with the results of ab initio and semi-empirical calculations. Particularly, the vibrational pattern observed in the S1 <- S0 transition is interpreted using a theoretical vibronic spectrum computed with an ab initio model. The results of the previous experiments and calculations are employed to analyze the data obtained by high-resolution electron energy loss spectroscopy (HREELS) applied to DBP molecules deposited on a Au(111) surface. They are also used to examine the measurements performed by differential reflectance spectroscopy (DRS) on DBP molecules deposited on a muscovite mica(0001) surface. It is concluded that the DBP molecules in the first monolayer do not show any obvious degree of chemisorption on mica(0001). Regarding the first monolayer of DBP on Au(111), the HREELS data are consistent with a face-on anchoring and the absence of strong electronic coupling. 
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