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Data Supporting "Switching between coherent and incoherent singlet fission via solvent-induced symmetry-breaking"


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Authors

Alvertis, Antonios-Markos 
Lukman, Steven 
Hele, Timothy 
Fuemmeler, Eric 
Feng, Jiaqi 

Description

This data set contains all data necessary to generate the figures in the manuscript. Detailed information on how the data was obtained may be found in the open access manuscript which has been deposited in this repository. Figure 1 - structure and general photo physics of the DT-Mes molecule. Figure 2 - determination of the energy levels of DT-Mes and multiple emissive species. Figure 3 - Transient absorption spectroscopy and excited state evolution. Figure 4 - Transient absorption spectroscopy and varying TT/CT balance. Figure 5 - TT and CT action spectra. Figure 6 - switching between coherent and incoherent singlet fission Figure 7 - multidimensional plot of the surfaces participating in the last part of singlet fission. Figure 8 - summary of singlet fission mechanism.

Version

Software / Usage instructions

The experimental data appearing in Figures 1,2,3,4 and 5 is in Origin format. The data underlying the model plots of Figures 1d, 6 and 7 is given as text files that can be plotted using MATLAB, gnuplot etc. README files accompany the data. The molecular geometries in the .zip file are used as inputs for the PPP electronic structure calculations.

Keywords

singlet fission, coherent dynamics, solvent effects

Publisher

Sponsorship
EPSRC (1819253)
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