RT Journal Article
T1 Complexation and Electronic Communication betweenCorannulene-Based Buckybowls and a Curved Truxene-TTF Donor
A1 Gallego, María
A1 Calbo, Joaquín
A1 Krick Calderón, Rafael M.
A1 Pla, Paula
A1 Hsieh, Ya-Chu
A1 Pérez, Emilio M.
A1 Wu, Yao-Ting
A1 Ortí, Enrique
A1 Guldi, Dirk M.
A1 Martín, Nazario
AB Abstract: The association behavior of an electron-donating, bowl-shaped, truxene-based tetrathiafulvalene (truxTTF) with  two corannulene-based fullerene fragments, C32H12 and C38H14, is investigated in several solvents. Formation of 1:1 complexes is followed by absorption titrations and complemented by density functional theory (DFT) calculations. The binding constants are in the range logKa=2.9–3.5. DFT calculations reveal that the most stable arrangement is the conformation in which the 1,3-dithiole ring of truxTTF is placed inside the concave cavity of the corannulene derivative. This arrangement is confirmed experimentally by NMR measurements, and implies that a combination of p–p and CH–p interactions is the driving force for association. Timedependent DFT calculations reproduce the experimental UV/Vis titrations and provide a detailed understanding of the spectral changes observed. Femtosecond transient absorption studies reveal the processes occurring after photoexcitation of either C32H12 or C38H14 and their supramolecular associates with truxTTF. In the case of truxTTF·C38H14, photoexcitation yields the charge-separated state truxTTFC +·C38H14C with a lifetime of approximately 160 ps.
PB Wiley Online Library
SN 1521-3765 (Online)
YR 2017
FD 2017-02
LK https://hdl.handle.net/20.500.14352/17668
UL https://hdl.handle.net/20.500.14352/17668
LA eng
NO Unión Europea. FP7
NO Ministerio de Economía y Competitividad (MINECO)
NO Comunidad de Madrid
NO European Feder funds
NO Generalitat Valenciana
DS Docta Complutense
RD 2 may 2024