Excited-state proton transfer relieves antiaromaticity in molecules [Chemistry]

Baird’s rule explains why and when excited-state proton transfer (ESPT) reactions happen in organic compounds. Bifunctional compounds that are [4n + 2] π-aromatic in the ground state, become [4n + 2] π-antiaromatic in the first 1ππ* states, and proton transfer (either inter- or intramolecularly) helps relieve excited-state antiaromaticity. Computed nucleus-independent...

Source: Proceedings of the National Academy of Sciences - October 7, 2019 Category: Science Authors: Chia–Hua Wu, Lucas Jose Karas, Henrik Ottosson, Judy I–Chia Wu Tags: Physical Sciences Source Type: research