Interaction

curated

Interaction Scheme

Molecule

1 ethyl 3 methylimidazolium tetrafluoroborate
[C2mim][BF4]

Host

Cb6
CB6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka > 1.0 M-1
Kd >
logKa > 0.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG < 0.0 0.0
Comment
Binding not determined. 1:1 stoichiometry between the host and the guest
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 210.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives sodium chloride 50.0 mM
Total concentration 50.0 mM
Please find here information about the dataset this interaction is part of.
Citation:

V. Sindelar, M. Necas, V. Kolman, P. Kulhanek, J. Svec, R. Marek, Z. Strelcova, SupraBank 2024, Electron Density Shift in Imidazolium Derivatives upon Complexation with Cucurbit[6]uril (dataset). https://doi.org/10.34804/supra.20210928135

Link: https://doi.org/10.34804/supra.20210928135
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

V. Kolman, R. Marek, Z. Strelcova, P. Kulhanek, M. Necas, J. Svec, V. Sindelar, Chem. Eur. J. 2009, 15, 6926–6931.

Link: https://doi.org/10.1002/chem.200900570
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of [C2mim][BF4] (20.0 M) and CB6 (0 — 40.0 M).