Optical and electrophysical properties of sulfur containing metal free phthalocyanine

Chemical and energy level structure, thin film formation as well as optical and electrophysical properties for metal free phthalocyanine containing rings with sulfur (2,3,9,10,16,17,23,24-tetra(5,6-dihydro-1,4-dithiin-2,3-dithiole) phthalocyanine) have been studied. Thermal heating of the substance powder results in rather good evaporation. Smooth and glasslike homogeneous thin film with a metallic lustre has been obtained. The absorption spectrum of the film with a maximum at 680 nm is strongly broadened. The additional sulfur containing groups are bended forming a stool like structure. Phthalocyanine skeleton and the nearest not bended sulfur containing ring is involved into longwave transition. HOMO and LUMO are at -5.14 and -3.10 eV correspondingly. Vertical ionization potential of free molecule is 5.99 eV and adiabatic one is 5.90 eV. The dipole moment of this molecule is 4.85 D. The predominance of doped conductivity confirms the amorphism of the vacuum deposited film. The mechanism of conductivity was found to be hopping. © 2010 Elsevier B.V

Blue organic light-emitting diodes based on pyrazoline phenyl derivative

The results of an experimental study of the electroluminescent device made of ITO/CuI/2,6-di-tert.-butyl-4-(2,5-diphenyl-3,4-dihydro-2H-pyrazol-3-yl)- phenol (HPhP)/3,6-Di(9-carbazolyl)-9-(2-ethylhexyl) carbazole (TCz1)/Ca:Al with efficacy up to 10.63 cd/A are presented. HPhP provides blue emission with a peak wavelength at 445 nm. The layer of TCz1 acts as an electron-transporting layer. In the framework of density functional theory (DFT) approach the geometry configuration and energy levels of HPhP are found being in a good agreement with spectral and cyclic voltammogram data. © 2011 Elsevier B.V