α-Rhenabenzofuran with nonaromatic T0 and aromatic S1 states†
Abstract
The first α-rhenabenzofuran complexes 2–5 are obtained from one-pot reactions of ReCl3(PMePh2)3 with o-ethynyl phenols. With a delocalized structure, these paramagnetic compounds are nonaromatic at the ground state, which is a triplet. But they exhibit an aromatic singlet excited state, revealed by DFT studies.