Stasyuk Anton J, Stasyuk Olga A, Solà Miquel, Voityuk Alexander A
Institute of Computational Chemistry and Catalysis and Department of Chemistry, University of Girona C/ M. Aurèlia Capmany, 69, 17003 Girona, Spain.
Chem Commun (Camb). 2020 Oct 20;56(83):12624-12627. doi: 10.1039/d0cc04261g.
In this work, we computationally study the photoinduced electron transfer in fullerene inclusion complexes of two phenine nanotubes pre-pNT⊃C70 and pNT⊃C70 and their nanographene analog [4]CHBC⊃C70. Charge separation is shown to efficiently occur in [4]CHBC⊃C70. In contrast, the electron transfer process between the host and guest units in the pre-pNT⊃C70 and pNT⊃C70 complexes is blocked by the structural changes incorporated in the nanographene framework.
在这项工作中，我们通过计算研究了两种菲纳米管预-pNT⊃C70和pNT⊃C70及其纳米石墨烯类似物[4]CHBC⊃C70的富勒烯包合物中的光致电子转移。结果表明，电荷分离在[4]CHBC⊃C70中能有效发生。相比之下，预-pNT⊃C70和pNT⊃C70配合物中主体和客体单元之间的电子转移过程被纳米石墨烯框架中引入的结构变化所阻断。
