Interaction Scheme
Molecule
Lithium perchlorate
c = 20000.0 µM
Host
12-Crown-4
c = 0.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 5.01 | ± 0.58 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -3.99 | ± 0.29 | -0.95 | ± 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 | 7Li | ||
| = | -0.74 ppm | ||
| δbound⁄δfree | = | 2.8 | |
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | pyridine |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. J. Smetana, A. I. Popov, SupraBank 2024, Lithium-7 nuclear magnetic resonance and calorimetric study of lithium crown complexes in various solvents (dataset). https://doi.org/10.34804/supra.20210928211 |
| Link: | https://doi.org/10.34804/supra.20210928211 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
A. J. Smetana, A. I. Popov, J Solution Chem 1980, 9, 183–196. |
| Link: | https://doi.org/10.1007/BF00648325 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Lithium perchlorate (3.9920159680638725 M) and 12-Crown-4 (0 — 7.984031936127745 M).
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