Photoinduced electron transfer in nanotube⊃C70 inclusion complexes: phenine vs. nanographene nanotubes

Abstract

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.