Interaction Scheme
Molecule
Methylammonium
Host
o-(Me)2-2.2.2
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 120.0 | ± 10.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -11.87 | ± 0.21 | -2.84 | ± 0.05 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Acetonitrile-d3 |
Please find here information about the dataset this interaction is part of.
| Citation: |
O. Shyshov, M. von Delius, X. Wang, C. Jäger, M. Hanževački, SupraBank 2024, Ammonium Complexes of Orthoester Cryptands Are Inherently Dynamic and Adaptive (dataset). https://doi.org/10.34804/supra.20210928237 |
| Link: | https://doi.org/10.34804/supra.20210928237 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
X. Wang, O. Shyshov, M. Hanževački, C. M. Jäger, M. von Delius, J. Am. Chem. Soc. 2019, 141, 8868–8876. |
| Link: | https://doi.org/10.1021/jacs.9b01350 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Methylammonium (0.16666666666666666 M) and o-(Me)2-2.2.2 (0 — 0.3333333333333333 M).
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