Abstract: Band edges and onset oxide potentials of compounds a-g were studied through UV-Vis spectra and cyclic voltammetry curve. Their highest occupied and lowest unoccupied molecular orbital (HOMO/LUMO) levels as well as energy gaps were calculated by empirical formula, and the relationship between energy gaps and fluorescent properties were discussed. The results showed that compounds e and f with big conjugated naphthalene and biphenyl and compounds b and g with methoxy and methyl substituent groups on aryl rings had smaller energy gaps compared with the others. These compounds would be easily excited, and then they would have better fluorescent properties. In addition, variation tendency of energy gaps by experimental was substantial agreement with that by optimized data.

Key words: dehydroabietic acid-based diarylamine, cyclic voltammetry, frontier orbital, energy gap, fluorescent property