The concept of aromaticity occupies a central place in the description of the ground state electronic structure of organic molecules, and is repeatedly invoked to rationalize the relative stability of conjugated molecules. More recently, aromaticity has been suggested as a driving force in the evolution of molecular systems in electronic excited states and employed to understand the viability of photochemical reactions. We aim to explore and rationalize how aromaticity directs molecular photophysics and photochemistry, and evaluate the role of electronic excitations of different nature, e.g., charge transfer or multi-electron excitations, in the aromaticity of molecules in their low-lying excitations.
Recent publications
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A. Diaz-Andres, D. Casanova
Benzene Excimer and Excited Multimers: Electronic Character, Interaction Nature, and Aromaticity
J. Phys. Chem. Lett. 12, 7400 (2021) -
S. Escayola, C. Tonnelé, E. Matito, A. Poater, H. Ottosson, M. Solà, D. Casanova
Guidelines for Tuning the Excited State Hückel–Baird Hybrid Aromatic Character of Pro-Aromatic Quinoidal Compounds
Angew. Chem. Int. Ed. 60, 10255 (2021)
