Comparison of charge transport and opto-electronic properties of pyrene and anthracene derivatives for OLED applications

In this paper, three organic semiconductors such as 9-[(5-nitropyridin-2-aminoethyl)iminiomethyl]-anthracene (a), N?-((pyren-4-yl)methylene)isonicotinohydrazide (b), and novel semiconductor N-(2-((pyren-4-yl)methyleneamino)ethyl)-5-nitropyridin-2-amine (c) were prepared. Their structures assessed using NMR elemental analysis techniques. While compound (a) have the same wing unit ([(5-nitropyridin-2-aminoethyl) iminiomethyl]), compounds (b) core (5-nitropyridin-2-amine). Based on TD-DFT Marcus theories, we explored effects of molecular structure opto-electronic properties for OLED applications. Our results show that units molecules impact more opto-electronics than units. The with exhibited quite similar behaviors in terms both structural parameters. However, a situation has not been observed unit. conclusion, our indicate exhibit obvious advantages OLEDs calculated charge transport better absorption emission parameters, lower energy gaps reorganisation energies higher mobility.