Interaction Scheme
Molecule
NaBArF
c = 0.0 — 1500.0 µM
Host
o-(H)2-1.1.1
c = 1000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 500.0 | ± 100.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -15.41 | ± 0.5 | -3.68 | ± 0.12 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Chloroform-D |
Please find here information about the dataset this interaction is part of.
| Citation: |
M. von Delius, H. Löw, E. Mena-Osteritz, SupraBank 2025, Self-templated synthesis of an orthoformate in,in-cryptand and its bridgehead inversion by dynamic covalent exchange (dataset). https://doi.org/10.34804/supra.20210928201 |
| Link: | https://doi.org/10.34804/supra.20210928201 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H. Löw, E. Mena-Osteritz, M. von Delius, Chem. Commun. 2019, 55, 11434–11437. |
| Link: | https://doi.org/10.1039/c9cc05968g |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of NaBArF (0.04 M) and o-(H)2-1.1.1 (0 — 0.08 M).
Please sign in: customize the simulation by signing in to the SupraBank.
