Interaction Scheme

Molecule

Paraquat
paraquat ion

Host

Hexamethyl cb6
Me6CB6

Indicator

Untitled
Na+

c = 200000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 60.0 ± 25.0 M-1
Kd =
logKa = 1.78 ± 0.19
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -10.15 ± 1.1 -2.43 ± 0.26
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus H-1
Detailed information about the solvation.
Solvent System Single Solvent
Solvent Deuterium Oxide
Please find here information about the dataset this interaction is part of.
Citation:

V. Sindelar, M. S. A. Khan, M. Necas, D. Heger, SupraBank 2024, Remarkable Salt Effect on Stability of Supramolecular Complex between Modified Cucurbit[6]uril and Methylviologen in Aqueous Media (dataset). https://doi.org/10.34804/supra.2021092833

Link: https://doi.org/10.34804/supra.2021092833
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. S. A. Khan, D. Heger, M. Necas, V. Sindelar, J. Phys. Chem. B 2009, 113, 11054–11057.

Link: https://doi.org/10.1021/jp9059906
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of paraquat ion (0.3333333333333333 M) and Me6CB6 (0 — 0.6666666666666666 M).