α-Rhenabenzofuran with nonaromatic T0 and aromatic S1 states

Junping Tang; Yilun Wang; Wei Bai; Yan Zhou; Wenyan Yu; Yang Li

doi:10.1039/d2dt01001a

α-Rhenabenzofuran with nonaromatic T₀ and aromatic S₁ states

Dalton Trans. 2022 Jun 21;51(24):9495-9500. doi: 10.1039/d2dt01001a.

Authors

Junping Tang¹, Yilun Wang^{1

2}, Wei Bai¹, Yan Zhou³, Wenyan Yu¹, Yang Li^{1

2}

Affiliations

¹ State Key Laboratory of Fine Chemicals, Department of Chemistry, School of Chemical Engineering, Dalian University of Technology, Liaoning 116024, P.R. China. baiwei@dlut.edu.cn.
² School of Chemical Engineering, Dalian University of Technology, Panjin, Liaoning 124221, P.R. China.
³ School of Chemistry and Chemical Engineering, Guangxi University for Nationalities, Guangxi Key Laboratory of Chemistry and Engineering of Forest Products, Key Laboratory of Guangxi Colleges and Universities for Food Safety and Pharmaceutical Analytical Chemistry, Nanning, 530008, P.R. China.

PMID: 35686950
DOI: 10.1039/d2dt01001a

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.