Interaction Scheme

Molecule

Untitled
Cobaltocene hexafluorophosphate

c = 16.3 µM

Host

Cb8
CB8

c = 0.0 — 30.0 µM

Indicator

1 adamantylammonium
1-Adamantylammonium

c = 30.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.90⋅108 M-1
Kd =
logKa = 8.28
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -47.26 -11.3
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 261.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives Sodium acetate 50.0 mM
Total concentration 50.0 mM
Please find here information about the dataset this interaction is part of.
Citation:

A. E. Kaifer, S. Yi, SupraBank 2024, Determination of the Purity of Cucurbit[n]uril (n = 7, 8) Host Samples (dataset). https://doi.org/10.34804/supra.20210928197

Link: https://doi.org/10.34804/supra.20210928197
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Yi, A. E. Kaifer, J. Org. Chem. 2011, 76, 10275–10278.

Link: https://doi.org/10.1021/jo2018312
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Cobaltocene hexafluorophosphate (1.0526315789473685e-07 M) and CB8 (0 — 2.105263157894737e-07 M).