Interaction Scheme
Molecule
TBACl
Host
Cx4P-bis(Ph-CCH)
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4.80⋅104 | ± 4000.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -26.72 | ± 0.21 | -6.39 | ± 0.05 |
| ΔH | = | -12.56 | ± 0.42 | -3.0 | ± 0.1 |
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 | acetone |
Please find here information about the dataset this interaction is part of.
| Citation: |
Q. Sun, G. Aragay, A. Pinto, E. Aguiló, L. Rodriguez, P. Ballester, SupraBank 2025, Influence of the Attachment of a Gold(I) Phosphine Moiety at the Upper Rim of a Calix[4]pyrrole on the Binding of Tetraalkylammonium Chloride Salts (dataset). https://doi.org/10.34804/supra.20210928280 |
| Link: | https://doi.org/10.34804/supra.20210928280 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Q. Sun, G. Aragay, A. Pinto, E. Aguiló, L. Rodríguez, P. Ballester, Chem. Eur. J. 2020, 26, 3348–3357. |
| Link: | https://doi.org/10.1002/chem.201905160 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of TBACl (0.0004166666666666667 M) and Cx4P-bis(Ph-CCH) (0 — 0.0008333333333333334 M).
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