Facilitating Electron Transfer by Resizing Cyclocarbon Acceptor from C 18 to C 16

Recent advances in synthetic methods, combined with tip-induced on-surface chemistry, have enabled the formation of numerous cyclocarbon molecules. Here, we investigate computationally the experimentally studied C and C molecules as well as their van der Waals (vdW) complexes with several typical do...

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Bibliographic Details
Published inChemistry : a European journal Vol. 30; no. 29; p. e202400215
Main Authors Stasyuk, O A, Voityuk, A A, Stasyuk, A J
Format Journal Article
LanguageEnglish
Published Germany 23.05.2024
Subjects
Reorganization energy
Cyclocarbons
Charge transfer
Photoinduced electron transfer
Excited state
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Summary:Recent advances in synthetic methods, combined with tip-induced on-surface chemistry, have enabled the formation of numerous cyclocarbon molecules. Here, we investigate computationally the experimentally studied C and C molecules as well as their van der Waals (vdW) complexes with several typical donor and acceptor molecules. Our results demonstrate a remarkable electron-withdrawing ability of cyclocarbon molecules. The vdW complexes of C and C exhibit a thermodynamically favorable photoinduced electron transfer (ET) from the donor partner to the cyclocarbons that occurs on a picosecond time scale. The lower reorganization energy of C compared to C leads to a significant acceleration of the ET reactions.
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.202400215