Uncovering intramolecular singlet fission at the root of the dual fluorescence of 1,4-bis(<i>p</i>-nitro-β-styryl)benzene in solution.

ABSTRACT: The exploration of singlet fission (SF) promises a pathway to many leaps forward including more efficient solar energy extraction and, more recently, organic-based quantum computing. Our study, through a joint experimental and computational approach, revolves around 1,4-bis(p-nitro-β-styryl)benzene (1) as the smallest molecule where the intramolecular transformation of the initially allowed 1¹Bu singlet state to the 2¹Ag excited state stops being ordinary internal conversion and becomes the first half of the SF process. Herein, we experimentally observe explicit breaking of the Kasha rule. Using femtosecond broadband fluorescence upconversion, we measure a dual fluorescence of 1 in solution from its two lowest singlet excited states of different symmetry. Femto

SUBMITTER: Mencaroni L 

PROVIDER: S-EPMC12282604 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature