Regulating the electronic and spin structure of endohedral metallofullerenes: a case investigation of Sc<sub>3</sub>N@C<sub>80</sub> and Sc<sub>3</sub>C<sub>2</sub>@C<sub>80</sub>
作者:Yongqiang Feng、Yuzhu Hu、Tianmi Luo、Chengke Yuan、Wenjie Zhu、Mengting Gao、Xuemeng Huo
DOI:10.1039/d2dt02816f
日期:——
retro-cycloaddition ability to recover the pristine Sc3N@C80. Electrochemical measurements revealed that the redox potential of Sc3N@C80 could be tuned via such exohedral modifications. Furthermore, the paramagnetic property and internal dynamics of the encapsulated Sc3C2 cluster of Sc3C2@C80 can be well-regulated by controlling the spin density of the molecule. The present work could provide a new approach to
内嵌金属富勒烯(EMFs)的电化学和顺磁性因其在分子器件、生物医学、量子信息处理等领域的巨大潜力而受到广泛关注。富勒烯碳笼的外嵌修饰,例如在经典的普拉托反应中,是调节 EMF 的电子结构和分子动力学的有效且简便的方法。在这项工作中,Sc 3 N@C 80和 Sc 3 C 2 @C 80的新型吡咯烷产物通过Prato 反应使用L-半胱氨酸和多聚甲醛。结构表征表明,对于 Sc 3 N@C 80和 Sc 3 C 2 @C 80都获得了在I h -C 80笼上具有[5,6]和[6,6]环加成的两种区域异构体。此外,Sc 3 N@C 80的[6,6]-单加合物具有热稳定性,而[5,6]-单加合物表现出逆环加成能力以恢复原始的 Sc 3 N@C 80。电化学测量表明,Sc 3 N@C 80的氧化还原电位可以通过这样的外嵌修饰。此外,Sc 3 C 2 @C 80封装的Sc 3 C 2团簇的顺磁性和内