Ontology highlight
ABSTRACT:
SUBMITTER: Stasyuk OA
PROVIDER: S-EPMC8252612 | biostudies-literature | 2021 Jun
REPOSITORIES: biostudies-literature
Stasyuk Olga A OA Stasyuk Anton J AJ Solà Miquel M Voityuk Alexander A AA
Chemphyschem : a European journal of chemical physics and physical chemistry 20210518 12
Photoinduced electron transfer is studied in a series of inclusion complexes of structurally modified phenine nanotubes (pNT) with C<sub>70</sub> using the TD-DFT method. Analysis of electronic properties of the complexes shows that the electron transfer is infeasible in pNT_4d⊃C<sub>70</sub> built on the tetrameric array of [6]cyclo-meta-phenylene ([6]CMP) units. However, replacing one or more [6]CMP units with a coronene moiety enables electron transfer from pNT to C<sub>70</sub> . The generat ...[more]