ABSTRACT
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.
ABSTRACT
Theoretical calculations and experimental measurements were carried out for the investigation of spectroscopic and photophysical properties of Zn(DFP SAMQ)2 complex. The rate constant of intersystem crossing and the radiative rate constant were calculated using ab initio method. The rate constant of the internal conversion was estimated using the received calculated values and the experimental fluorescence quantum yield. It was shown that the main mechanism for the deactivation of the excited electronic energy of the first singlet excited state is the process of internal conversion.
