Vibronic spectra of bifluorene and terfluorene
The density functional method (DFT/B3LYP/6-31G(d,p)) was used to calculate the vibrational absorption and emission spectra of bifluorene and terfluorene molecules. Good agreement was obtained between the model and experimental spectra. Vibrational promoting modes that form a vibronic progression in the emission band are determined.
Download file
Counter downloads: 49
Keywords
Vibronic spectrum, Frank-Kondon, promoting mode, organic light-emitting diodeAuthors
| Name | Organization | |
| Valiev R.R. | National Research Tomsk State University | valievrashid@mail.ru |
| Sunchugashev D.A. | National Research Tomsk State University | dsunchugashev@gmail.com |
| Gadirov R.M. | National Research Tomsk State University | grm882@ngs.ru |
| Nasibullin R.T. | National Research Tomsk State University | nasibullin.rt@mail.ru |
| Cherepanov V.N. | National Research Tomsk State University | vnch@phys.tsu.ru |
References
Scherf U., List E.J.W. // Adv. Mater. - 2002. - V. 14. - No. 7. - P. 477-487.
Zheng H., Zheng Y., et al. // Nature Commun. - 2013. - V. 4. - P. 1971-1978.
Nosova G.I., Ilgach D.M., et al. // Mendeleev Commun. - 2017. - V. 27. - P. 265-267.
Yevlampieva N.P., Khurchak A.P. // Chem. Phys. Lett. - 2016. - V. 645. - P. 100-105.
Копылова Т.Н., Никонова Е.Н. и др. // Изв. вузов. Физика. - 2015. - Т. 58. - № 12. - С. 112-115.
Whitehead K.S., Grell M., et al. // Appl. Phys. Lett. - 2000. - V. 76. - P. 2946-2948.
Weinfurtner K.H., Fujikawa H., et al. // Appl. Phys. Lett. - 2000. - V. 76. - P. 2502-2504.
Liang J., Yu L., et al. // Nanotechnology. - 2016. - V. 27. - P. 284001-284009.
Perevedentsev A., Chander N., et al. // J. Polym. Sci. B: Polym. Phys. - 2016. - V. 54 - P. 1995-2006.
Kopylova T.N., Gadirov R.M. // Polymer Science. Series B. - 2014. - V. 56. - No. 4. - P. 399-413.
Jo J., Chi C., et al. // Chem. Eur. J. - 2004. - V. 10. - P. 2681-2688.
Choi E.Y., Mazur L. // Phys. Chem. Chem. Phys. - 2014. - V. 16. - P. 16941-16956.
Frisch M.J., Trucks G.W., et al. // Gaussian 09. revision a.02. gaussian. inc., Wallingford, CT. 2009.
Lax M. // J. Chem. Phys. - 1952. - V. 20. - P. 1752.
Becke A.D. // Phys. Rev. A: At., Mol., Opt. Phys. - 1988. - V. 38. - P. 5648-5652.
Lee C., Yang W., et al. // Phys. Rev. B: Condens. Matter Mater. Phys. - 1988. - V. 37. - P. 785-789.
Francl M.M., Petro W.J. // J. Chem. Phys. - 1982. - V. 77. - P. 3654-3665.
Конышев Ю.В., Черепанов В.Н. и др. // Изв. вузов. Физика. - 2018. - Т. 61. - № 10. - С. 15-19.
Duschinsky F. // Acta Physicochimica URSS. - 1973. - V. 7. - P. 551-566.
