Interaction Scheme

Molecule

Nitrate ion
NO3-

Host

All cis hexafluorocyclohexane
all-cis Hexafluorocyclohexane

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 37.0 ± 7.0 M-1
Kd =
logKa = 1.57 ± 0.08
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -8.95 ± 0.47 -2.14 ± 0.11
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Detailed information about the solvation.
Solvent System Single Solvent
Solvent acetone
Please find here information about the dataset this interaction is part of.
Citation:

O. Shyshov, M. von Delius, K. A. Siewerth, SupraBank 2024, Evidence for anion-binding of all-cis hexafluorocyclohexane in solution and solid state (dataset). https://doi.org/10.34804/supra.20210928236

Link: https://doi.org/10.34804/supra.20210928236
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

O. Shyshov, K. A. Siewerth, M. von Delius, Chem. Commun. 2018, 54, 4353–4355.

Link: https://doi.org/10.1039/C8CC01797B
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of NO3- (0.5405405405405406 M) and all-cis Hexafluorocyclohexane (0 — 1.0810810810810811 M).