Diphenyldihydropentalenediones: Wide Singlet-Triplet Energy Gap Compounds Possessing the Planarly Fixed Diene Subunit.

ABSTRACT: 2,2,5,5-Tetramethyl-3,6-diphenyl-2,5-dihydropentalene-1,4-dione (PD-H) and its dimethoxy (PD-OCH₃) and bis(trifluoromethyl) derivatives (PD-CF₃) were developed as a new class of compounds possessing a wide excited singlet-triplet energy gap. The PD derivatives would also have a high energy level of the triplet-excited state (E _T) due to the planarity of the fused-diene subunit. The results of photophysical studies revealed that the energy level of the singlet-excited state (E _S) and E _T of PD-H are 2.88 and 1.43 eV, respectively. These values indicate that PD-H has the energy relationship, E _S > 2E _T, required for it to be a singlet fission (SF) material. Moreover, the introducti

SUBMITTER: Nagaoka T 

PROVIDER: S-EPMC9648098 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature