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Triquinoline‐ versus Fullerene‐Based Cycloparaphenylene Ionic Complexes: Comparison of Photoinduced Charge‐Shift Reactions
Author(s) -
Stasyuk Anton J.,
Stasyuk Olga A.,
Solà Miquel,
Voityuk Alexander A.
Publication year - 2020
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.202002179
Subject(s) - supramolecular chemistry , moiety , fullerene , solvatochromism , coronene , photoinduced electron transfer , blueshift , electron acceptor , nanochemistry , chemistry , acceptor , molecule , photochemistry , materials science , electron transfer , stereochemistry , organic chemistry , photoluminescence , physics , optoelectronics , condensed matter physics
A triquinoline cationic moiety (TQ⋅H + ) has recently been designed as a novel molecular unit for supramolecular chemistry. In addition to some useful features, TQ⋅H + has strong electron‐acceptor properties, which renders the molecular cation a unique element in nanochemistry. TQ⋅H + is found to form complexes with coronene (COR) and cycloparaphenylene (CPP). In this work, we report a computational study of photoinduced electron transfer in supramolecular complexes TQ⋅H + ‐COR, TQ⋅H + ⊂[12]CPP and (TQ⋅H + ‐COR)⊂[12]CPP. The electron‐transfer rates are estimated by using the semi‐classical approach. The results are compared with the data previously obtained for a structurally similar inclusion complex Li + @C 60 ⊂[10]CPP. In particular, we found a red solvatochromic shift for charge‐shift bands in the TQ⋅H + ‐complexes unlike a blueshift showed by Li + @C 60 ⊂[10]CPP. This distinction is explored in terms of electronic and structural features of the systems.