Interaction

curated

Interaction Scheme

Molecule

Untitled
[C4Mim]Br

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
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Δδbound = 0.1 ppm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent Deuterium Oxide
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 [C4Mim]Br (20.0 M) and CB6 (0 — 40.0 M).