Vibronic Spectra of Bifluorene and Terfluorene

R. R. Valiev,D. A. Sunchugashev,R. M. Gadirov,R. T. Nasibullin,V. N. Cherepanov

Izvestiya vysshikh uchebnykh zavedenii. Fizika（2022）

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摘要

Using the method of the density functional theory (DFT/B3LYP/6-31G(d,p)), the vibrational absorption and emission spectra of bifluorene and terfluorene molecules are calculated. A good agreement is obtained between the model and experimental spectra. The vibrational promoting modes forming a vibronic progression in the emission bands are determined.

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关键词

vibronic spectrum, Franck-Condon, promoting mode, organic light-emitting diode

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