Interaction Scheme
Molecule
Br-
Host
all-cis Hexafluorocyclohexane
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 13.0 | ± 5.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -6.36 | ± 1.01 | -1.52 | ± 0.24 |
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, K. A. Siewerth, SupraBank 2024, Evidence for anion-binding of all-cis hexafluorocyclohexane in solution and solid state (dataset). https://doi.org/10.34804/supra.20210928236 |
| Link: | https://doi.org/10.34804/supra.20210928236 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
O. Shyshov, K. A. Siewerth, M. von Delius, Chem. Commun. 2018, 54, 4353–4355. |
| Link: | https://doi.org/10.1039/C8CC01797B |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Br- (1.5384615384615385 M) and all-cis Hexafluorocyclohexane (0 — 3.076923076923077 M).
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