title: Isolation and crystal structure of a dithiophene dication: controlling covalent connection and disconnection with temperature and phase.
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.
authors.affiliation: State 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.
authors.forename: Ningning
authors.initials: N
authors.lastname: Yuan
authors.forename: Zaichao
authors.initials: Z
authors.lastname: Zhang
authors.forename: Xingyong
authors.initials: X
authors.lastname: Wang
authors.forename: Xinping
authors.initials: X
authors.lastname: Wang