Crystal structure and optoelectronic properties of antiaromatic compound 3,4,9,10-tetrahydrodicyclopenta[cd,lm]perylene

Abstract

An antiaromatic compound 3,4,9,10-tetrahydrodicyclopenta[cd,lm] perylene, was synthesized by a coupling reaction. Its crystal structure was determined by X-ray diffraction. Crystal structures shows that the antiaromatic compounds are aggregated to J-aggregation materials. It further results ultrafast charge separation at organic interface and electron transfer in the aggregation materials. UV-vis spectrum shows that title compound has a broad UV-vis light absorbance at the wavelength range from 250 to 470 nm and a 2.67 eV energy gap value between the highest occupied and the lowest unoccupied molecular orbital energy levels.