Theoretical insights into room temperature phosphorescence emission with anti-Kasha behavior in aggregate

Dual emission of ESIPT-capable 2-(2-hydroxyphenyl)-4-(1H-pyrazol-1-yl)pyrimidines: interplay of fluorescence and phosphorescence

“…S 1 or T 1 . Although exceptions to this rule are known, [107][108][109][110][111][112][113][114][115][116][117] they are quite rare, and most of them are related to azulene derivatives. [118][119][120][121][122] Surprisingly, HL and Zn(HL)Cl 2 exhibit a unique interplay of anti-Kasha fluorescence (S 2 -S 0 ) and anti-Kasha phosphorescence (T 2 -S 0 ), which is caused by extraordinarily large S 2 -S 1 and T 2 -T 1 energy gaps.…”

Role of halogen effects and cyclic imide groups in constructing red and near-infrared room temperature phosphorescence molecules: theoretical perspective and molecular design

“…24,25 At the same time, our group also verified a class of RTP molecules with anti-Kasha behaviors. 26 Simultaneously, the intramolecular halogen effects on the realization of high efficiency and ultralong organic phosphorescence (UOP) emission were verified. In addition, the rational molecular design strategy provided useful insights for the development of more efficient RTP molecules.…”

A molecular descriptor of a shallow potential energy surface for the ground state to achieve narrowband thermally activated delayed fluorescence emission

“…All these related equations and processes can be found in Peng, Shuai, Cui, Ma, Bai, and our works. [67][68][69][70] Besides, the vibration-mode mixing effect can be taken into account as…”