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Physics Express 2014, 4: 2
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Research Article
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Organic Light Emitting Diode (OLED) materials from spirobifluorene derivatives
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R. N. Jana, S. Chakraborty, R. Banerjee
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Department of Chemical Engineering, Haldia Institute of Technology, ICARE Complex, Pura Medinipur, Haldia – 721657, India
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Abstract |
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Novel spirobifluorene (SBF) derivatives containing different π-conjugated functional groups were synthesized using a cross coupling reaction with palladium (Pd) catalyst under an inert atmosphere. The synthesized SBF derivatives showed the photoluminescence (PL) emission spectra in the range from blue to near-UV range i.e., from 2.7 eV (461 nm) up to 3.5 eV (352 nm). However, the naphthyl and amine contained derivatives showed a significant deviation in PL, photoluminescence excitation (PLE), and UV-Vis absorption (OD) spectroscopy, indicating their additional photon energy specific to non-radiative decay channels. Time-dependant density functional theory (TD-DFT), based on the B3LYP functional with the 6-31G(d) basis set using Gaussian 98 package, was applied to calculate the ground state energy, excited triplet and singlet states energies. The calculated excitation energies (ε), oscillator strength (f) and dominant orbital excitation showed that these compounds may produce a blue emission due to the extended conjugation length of the SBF derivatives thus suggesting their use as promising blue organic light-emitting diode (OLED) materials.
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Keywords |
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Organic light-emitting diode (OLED); Spirobifluorene; Photoluminescence; Electroluminescence; Time-dependent density functional theory (TD-DFT)
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