Interaction

curated

Interaction Scheme

Molecule

Compound
SF6

c = 10.0 — 100.0 µM

Host

Cb6
CB6

c = 100.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.10⋅104 M-1
Kd =
logKa = 4.49
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -25.64 -6.13
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 19F
Δδbound = 59.362 ppm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents Deuterium Oxide 100.0 %
Additives Sodium sulfate 200.0 mM
Total concentration 200.0 mM
Please find here information about the dataset this interaction is part of.
Citation:

M. Luhmer, L. Fusaro, E. Locci, A. Lai, SupraBank 2024, NMR Study of the Reversible Trapping of SF6 by Cucurbit[6]uril in Aqueous Solution (dataset). https://doi.org/10.34804/supra.20210928356

Link: https://doi.org/10.34804/supra.20210928356
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

L. Fusaro, E. Locci, A. Lai, M. Luhmer, J. Phys. Chem. B 2008, 112, 15014–15020.

Link: https://doi.org/10.1021/jp806685z
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of SF6 (0.0006451612903225806 M) and CB6 (0 — 0.0012903225806451613 M).