Interaction Scheme
Molecule
Tetrabutylammonium 4,6-bis(phenylethynyl)-5-oxy...
Host
tetraallyl-bicyclic guanidinium iodide
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 7.04⋅105 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 19.85 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -32.8 | -7.84 | ||
| ΔH | = | -33.18 | -7.93 | ||
| -TΔS | = | 0.4 | 0.1 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -1.4 | -0.3 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | syringe | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | acetonitrile |
Please find here information about the dataset this interaction is part of.
| Citation: |
V. D. Jadhav, F. P. Schmidtchen, SupraBank 2024, Surprises in the Design of Anion Receptors: Calorimetry Prevents False Reasoning (dataset). https://doi.org/10.34804/supra.2021092841 |
| Link: | https://doi.org/10.34804/supra.2021092841 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
V. D. Jadhav, F. P. Schmidtchen, Org. Lett. 2005, 7, 3311–3314. |
| Link: | https://doi.org/10.1021/ol051109k |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Tetrabutylammonium 4,6-bis(phenylethynyl)-5-oxylato-5h-dibenzophosphole 5-oxide (2.8398401170014127e-05 M) and tetraallyl-bicyclic guanidinium iodide (0 — 5.6796802340028255e-05 M).
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