Interaction Scheme
Molecule
[(trimethylammonio)methyl]ferrocene
Host
CB7
Indicator
1-Adamantylammonium
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3.31⋅1011 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| kin= | 23170000.0 | ± | M-1s-1 |
| kout= | 7.0e-05 | ± | s-1 |
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -65.76 | -15.72 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Competitive | ||
| Assay Type: | Competitive Binding Assay | ||
| Technique: | Potentiometry | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 50 mM acetate pH-4 |
| Solvents | water | 100.0 % |
| Additives | acetic acid | 38.7 mM |
| Sodium acetate | 11.3 mM | |
| Source of Concentration | estimated | |
| Total concentration | 50.0 mM | |
| pH | 4.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. E. Kaifer, M. H. Tootoonchi, S. Yi, SupraBank 2024, Detection of Isomeric Microscopic Host–Guest Complexes. A Time-Evolving Cucurbit[7]uril Complex (dataset). https://doi.org/10.34804/supra.20210928114 |
| Link: | https://doi.org/10.34804/supra.20210928114 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. H. Tootoonchi, S. Yi, A. E. Kaifer, J. Am. Chem. Soc. 2013, 135, 10804–10809. |
| Link: | https://doi.org/10.1021/ja404797y |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of [(trimethylammonio)methyl]ferrocene (6.042296072507553e-11 M) and CB7 (0 — 1.2084592145015106e-10 M).
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