| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1229835 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2017 | 6 Pages |
•The vibronic spectra of organic molecules were simulated.•The blue OLED devices were created.•The singlet and triplet energies were calculated using ab initio level of theory.
Electronic absorption and luminescence spectra of four new compounds of divinyldiphenyl and divinylphenanthrene derivatives are investigated experimentally in tetrahydrofuran solutions and thin films obtained by thermal vacuum deposition and by spin coating of these substances embedded into polyvinylcarbazole matrix. Molecular geometry optimizations and electronic spectra have been calculated in the framework of XMC-QDPT2/6-31G (d, p) and TDDFT/B3LYP/6-31G (d, p) levels of theory. We have fabricated and studied OLED devices with the structure ITO/PEDOT:PSS/NPD/L/Ca/Al and ITO/PEDOT:PSS/PVK + L/Ca, where L is the luminophore. It is demonstrated that the photo-and electroluminescence spectra of divinyldiphenyl are not identical and undergo strong changes depending on the method of sample preparation.
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