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- W4309809379 abstract "We investigate dynamic signatures of the singlet fission (SF) process triggered by the excitation of a molecular system to an upper singlet state SN (N > 1) and develop a computational methodology for the simulation of nonlinear spectroscopic signals revealing the SN → TT1 SF in real time. We demonstrate that SF can proceed directly from the upper state SN, bypassing the lowest excited state, S1. We determine the main SN → TT1 reaction pathways and show by computer simulation and spectroscopic measurements that the SN-initiated SF can be faster and more efficient than the traditionally studied S1 → TT1 SF. We claim that the SN → TT1 SF offers novel promising opportunities for engineering SF systems and enhancing SF yields." @default.
- W4309809379 created "2022-11-29" @default.
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- W4309809379 date "2022-11-23" @default.
- W4309809379 modified "2023-10-16" @default.
- W4309809379 title "Plenty of Room on the Top: Pathways and Spectroscopic Signatures of Singlet Fission from Upper Singlet States" @default.
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- W4309809379 doi "https://doi.org/10.1021/acs.jpclett.2c03053" @default.
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