The electronic structure, absorption and emission spectra, as well as phosphorescence efficiency of Re(I) tricarbonyl complexes of a general formula fac-[Re(I)(CO) 3 (L)(R-N^N)](L = Cl; N^N = 2, 2'-bipyridine; R = -H, 1; -NO 2 , 2; -PhNO 2 , 3; -NH 2 , 4; -TPA (triphenylamine), 5) were investigated by using density functional theory(DFT) and time dependents density functional theory (TDDFT) methods. The calculated results reveal that introductions of the Electron with drawing group (EWG) and Electron donating group (EDG) on the R position of 2, 2'-bipyridine ligand. When EWG (-NO 2 and -PhNO 2 ) are introduced into complex 2 and 3, the lowest energy absorption and emission bands are red shifted compared with that of complex 1. On the contrary, the introduction of the EDG (-NH 2 and -TPA) in complex 4 and 5 cause corresponding blue shifted. The solvent effect on absorption and emission spectrum indicates that the lowest energy absorption and emission bands have red shifts with the decrease of solvent polarity. The electronic affinity (EA), ionization potential (IP) and reorganization energy (λ) results show that complex 5 is suitable to be used as an emitter in phosphorescence organic light emitting diodes (PHOLEDs). Meanwhile the emission quantum yield of complex 5 is possibly higher than that of other complexes.

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Kinetics of alkaline hydrolysis of crystal violet, a triphenylmethane dye in the micellar environment of cetyltrimethylammonium bromide (CTAB), sodium dodecyl sulfonate (SDS) and binary mixtures of these surfactants was studied. The regression parameters, together with rate constants and binding constants were obtained by analyzing the rate surfactant profiles using cooperativity model. It was observed that the reaction was catalyzed by both surfactants. The catalytic factor increased by 10 times in SDS and 38 times in CTAB indicating that binding of crystal violet to the micellar surface is stronger in pure CTAB than SDS but the strength drastically reduced in the mixtures of the surfactants. Reduction of binding constant became more important as the mole fraction of CTAB was improved in the mixture. The kinetic data were investigated using Piszkiewicz model and Raghavan-Srinivasan model. The data obtained from the models were in good agreement with the experimental values.