All-carbon supramolecular complexation of a bilayer molecular nanographene with [60] and [70]fullerenes.

ABSTRACT: 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 abo

SUBMITTER: Buendia M 

PROVIDER: S-EPMC11706225 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature