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Published on: June 15, 2021
Isolation and crystal structure of a dithiophene dication: controlling covalent connection and disconnection with
Ningning Yuan1, Zaichao Zhang, Xingyong Wang
1State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China. xpwang@nju.edu.cn.
Abstract:
A dithienylethene (1o) undergoes a two-electron chemical oxidation to a singlet diradical as an open-isomer (1o(2+)) in solution, which cyclizes to a closed-form (1c(2+)) upon cooling. The latter crystallizes out and its structure is analyzed by single crystal X-ray diffraction. Equilibrium between 1o(2+) and 1c(2+) in solution is observed by NMR and UV spectroscopy at various temperatures and is further supported by reduction reactions with Zn powder.
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