Interaction Scheme
Molecule
2,3-Diazabicyclo(2.2.2)oct-2-ene
Host
β-CD
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1100.0 | ± 300.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -17.36 | ± 0.69 | -4.15 | ± 0.16 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Absorbance | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. M. Nau, X. Zhang, SupraBank 2025, An Exceedingly Long-Lived Fluorescent State as a Distinct Structural and Dynamic Probe for Supramolecular Association: An Exploratory Study of Host−Guest Complexation by Cyclodextrins (dataset). https://doi.org/10.34804/supra.20210928309 |
| Link: | https://doi.org/10.34804/supra.20210928309 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
W. M. Nau, X. Zhang, J. Am. Chem. Soc. 1999, 121, 8022–8032. |
| Link: | https://doi.org/10.1021/ja990626t |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,3-Diazabicyclo(2.2.2)oct-2-ene (0.01818181818181818 M) and β-CD (0 — 0.03636363636363636 M).
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