RT Journal Article
T1 All-carbon supramolecular complexation of a bilayer molecular nanographene with [60] and [70]fullerenes
A1 Buendía, Manuel
A1 Stasyuk, Anton
A1 Filippone, Salvatore
A1 Solà, Miguel
A1 Martín León, Nazario
AB Supramolecular chemistry of carbon-based materials provides a variety of chemical structures with potential applications in materials science and biomedicine. Here, we explore the supramolecular complexation of fullerenes C60 and C70, highlighting the ability of molecular nanographene tweezers to capture these structures. The binding constant for the CNG-1⊃C70 complex was significantly higher than for CNG-1⊃C60, showing a clear selectivity for the more π-extended C70. DFT calculations confirmed these experimental results by showing that the interaction energy of C70 with CNG-1 is more than 5 kcal mol−1 higher than that of C60. Theoretical calculations predict that the dispersion interaction provides about 58–59% of the total interaction energy, followed by electrostatic attraction with 26% and orbital interactions, which contribute 15–16%. The racemic nanographene tweezers effectively recognize fullerene molecules and hold promise for future applications in chiral molecule recognition.
YR 2024
FD 2024
LK https://hdl.handle.net/20.500.14352/120318
UL https://hdl.handle.net/20.500.14352/120318
LA eng
NO Buendía, Manuel, et al. «All-Carbon Supramolecular Complexation of a Bilayer Molecular Nanographene with [60] and [70]Fullerenes». Organic Chemistry Frontiers, vol. 12, n.o 5, 2025, pp. 1438-43. https://doi.org/10.1039/D4QO02071E.
NO Ministerio de Ciencia, Innovación y Universidades (España)
NO Generalitat de Catalunya
NO Comunidad de Madrid
DS Docta Complutense
RD 21 mar 2026