Interaction Scheme
Molecule
Ba2+
Host
Dimethyl-tetraoxa-diazacyclooctadecane
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 5.01⋅106 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -38.24 | -9.14 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Potentiometry | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | methanol | 95.0 % |
| water | 5.0 % | |
Please find here information about the dataset this interaction is part of.
| Citation: |
J. M. Lehn, J. P. Sauvage, SupraBank 2024, Cryptates. XVI. [2]-Cryptates. Stability and selectivity of alkali and alkaline-earth macrobicyclic complexes (dataset). https://doi.org/10.34804/supra.20210928103 |
| Link: | https://doi.org/10.34804/supra.20210928103 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J. M. Lehn, J. P. Sauvage, J. Am. Chem. Soc. 1975, 97, 6700–6707. |
| Link: | https://doi.org/10.1021/ja00856a018 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Ba2+ (3.990524626970048e-06 M) and Dimethyl-tetraoxa-diazacyclooctadecane (0 — 7.981049253940096e-06 M).
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