Lai Weiming, Bu Yanru, Xiao Wang, Liu Haohao, Guo Jing, Zhao Longfeng, Yang Kun, Xie Sheng, Zeng Zebing
State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, China.
Shenzhen Research Institute of Hunan University, Nanshan District, Shenzhen 518000, China.
J Am Chem Soc. 2023 Nov 8;145(44):24328-24337. doi: 10.1021/jacs.3c09226. Epub 2023 Oct 25.
We report herein an organic charge transfer cocrystal complex, consisting of a stable radical and an electron acceptor , as a rare sort of all-organic-based magnetic bistable materials with a thermally activated magnetic hysteresis loop over the temperature range from 170 to 260 K. Detailed X-ray crystallographic studies and theoretical calculations revealed that while a π-associated radical anion dimer was formed upon an integer charge transfer process from to the molecules within the cocrystal lattice, the resulting π-dimers were found to exhibit varied intradimer π-stacking distances and singly occupied molecular orbital overlaps at different temperatures, thus yielding two different singlet states with distinct singlet-triplet gaps above and below the loop, which eventually contributed to the thermally excited molecular magnetic bistability.
