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The ancestral sequence reconstruction (ASR) method applied to a large dataset of modern fluorescent proteins (FPs) led to a bright ancestral-like FP suitable for photon down-conversion in bio-hybrid ...

The European Union (EU) Revised Renewable Energy Directive 2023/2413/EU states the need of advancing renewable energy sourcesto meet the commitments of the Paris Agreement while keeping the EU a globa...

In the previous work [Reddy et al., J. Chem. Phys. 151, 044307 (2019)], we have analyzed the dynamics of the intramolecular singlet fission process in a series

The ultrafast relaxation dynamics of tetracene following UV excitation to the bright singlet state S6 has been studied with time-resolved photoelectron spectros

The radical character of molecules exhibiting singlet fission is related to the energy level matching relationships that facilitate this process. Using a linear H4 model molecule, we employ quantum chemical topology descriptors based on full configuration interaction calculations to rationalize singlet fission. In this context, the influence of the closed-shell to diradical and diradical to tetraradical character on the singlet fission energy matching conditions is analyzed. We find that in the diradical limit the singlet fission efficiency can be manipulated considering the active molecule coupled to an excited diradical, while in the diradical to tetraradical limit, the efficiency is dependent only on the gap between the lowest-lying excited singlet and triplet state. Furthermore, our results reveal possible design strategies for molecules with radical character exhibiting efficient singlet fission.