Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química, Universitat de Girona, Campus Montilivi, Girona, E-17003, Catalonia, Spain.
Chem Commun (Camb). 2019 Jan 15;55(6):798-801. doi: 10.1039/c8cc07886f.
A novel naphthalene-based 5·(BArF)8 capsule allows for the size-selective inclusion of C60 from fullerene mixtures. Its size selectivity towards C60 has been rationalized by its dynamic adaptability in solution that has been investigated by molecular dynamics. Additionally, 5·(BArF)8 encapsulates C60-derivatives such as C60-PCBM and N-methylpyrrolidine-C60. The latter can be separated from C60 since 5·(BArF)8 displays distinct affinity for them.
一种新型基于萘的 5·(BArF)8 胶囊允许从富勒烯混合物中选择性地包含 C60。其对 C60 的尺寸选择性已通过分子动力学研究其在溶液中的动态适应性得到了合理化。此外,5·(BArF)8 还可以封装 C60 衍生物,如 C60-PCBM 和 N-甲基吡咯烷-C60。后者可以与 C60 分离,因为 5·(BArF)8 对它们表现出明显的亲和力。