Interaction Scheme
Molecule
paraquat ion
Host
Me6CB6
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.23⋅105 | ± 1.50⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -29.05 | ± 0.3 | -6.94 | ± 0.07 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct 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 |
| Export: | BibTex | RIS | EndNote |
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 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of paraquat ion (0.00016260162601626016 M) and Me6CB6 (0 — 0.0003252032520325203 M).
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