Issue 9, 2022

Nitrogen-doped molecular bowls as electron donors in photoinduced electron transfer reactions

Abstract

In recent years, the chemistry of curved π-conjugated molecules has experienced a sharp rise. The inclusion of a heteroatom in the carbon network significantly affects its semiconducting properties. In this work, we computationally study the photoinduced electron transfer in a series of C60 fullerene complexes with experimentally established nitrogen-doped molecular bowls. Our results demonstrate that introducing nitrogen into pentagonal rings of the bowl-shaped π-conjugated molecules and extending the π-conjugation can modulate their electron-transfer properties. Among the studied complexes, the hub-NCor⊃C60 complex exhibits the most desirable combination of ultrafast charge separation and slow charge recombination, suggesting its potential use in photovoltaics.

Graphical abstract: Nitrogen-doped molecular bowls as electron donors in photoinduced electron transfer reactions

Supplementary files

Article information

Article type
Paper
Submitted
10 mar 2022
Accepted
27 mar 2022
First published
30 mar 2022
This article is Open Access
Creative Commons BY-NC license

Nanoscale Adv., 2022,4, 2180-2188

Nitrogen-doped molecular bowls as electron donors in photoinduced electron transfer reactions

O. A. Stasyuk, A. J. Stasyuk, M. Solà and A. A. Voityuk, Nanoscale Adv., 2022, 4, 2180 DOI: 10.1039/D2NA00150K

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