Interaction

curated

Interaction Scheme

Molecule

Rb
Rb+

Host

Cb6
CB6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 478.6 ± 44.1 M-1
Kd =
logKa = 2.68 ± 0.04
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -15.3 ± 0.23 -3.66 ± 0.05
ΔH = -1.5 ± 0.3 -0.36 ± 0.07
-TΔS = -14.2 ± 0.1 -3.39 ± 0.02
J mol-1 K-1 cal mol-1 K-1
ΔS = 47.6 ± 0.3 11.4 ± 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
Instrument: ITC
Molecule: syringe
Partner: cell
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water 50.0 %
Formic acid 50.0 %
Please find here information about the dataset this interaction is part of.
Citation:

H. Buschmann, E. Schollmeyer, K. Jansen, C. Meschke, SupraBank 2024, Thermodynamic Data for Complex Formation Between Cucurbituril and Alkali and Alkaline Earth Cations in Aqueous Formic Acid Solution (dataset). https://doi.org/10.34804/supra.20231010496

Link: https://doi.org/10.34804/supra.20231010496
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

H.-J. Buschmann, K. Jansen, C. Meschke, E. Schollmeyer, Journal of Solution Chemistry 1998, 27, 135–140.

Link: https://doi.org/10.1023/A:1022605306651
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Rb+ (0.041788549937317176 M) and CB6 (0 — 0.08357709987463435 M).