Interaction

curated

Interaction Scheme

Molecule

C60
Buckminsterfullerene

c = 0.0 — 2.4 µM

Host

10 cpp
[10]Cycloparaphenylene

c = 0.2 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5.70⋅106 ± 4.00⋅105 M-1
Kd =
logKa = 6.76 ± 0.03
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -38.56 ± 0.17 -9.22 ± 0.04
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 340.0 nm
𝛌em = 446.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents toluene 90.0 %
acetonitrile 10.0 %
Please find here information about the dataset this interaction is part of.
Citation:

M. von Delius, E. Ubasart, O. Borodin, C. Fuertes-Espinosa, Y. Xu, C. García-Simón, L. Gómez, J. Juanhuix, F. Gándara, I. Imaz, D. Maspoch, X. Ribas, SupraBank 2024, A three-shell supramolecular complex enables the symmetry-mismatched chemo- and regioselective bis-functionalization of C60 (dataset). https://doi.org/10.34804/supra.20220623432

Link: https://doi.org/10.34804/supra.20220623432
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

E. Ubasart, O. Borodin, C. Fuertes-Espinosa, Y. Xu, C. García-Simón, L. Gómez, J. Juanhuix, F. Gándara, I. Imaz, D. Maspoch, et al., Nat. Chem. 2021, 13, 420–427.

Link: https://doi.org/10.1038/s41557-021-00658-6
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Buckminsterfullerene (3.5087719298245615e-06 M) and [10]Cycloparaphenylene (0 — 7.017543859649123e-06 M).