Interaction Scheme

Molecule

Lithium perchlorate
Lithium perchlorate

c = 20000.0 µM

Host

18 crown 6
18-Crown-6

c = 0.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 489.78 ± 125.38 M-1
Kd =
logKa = 2.69 ± 0.11
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -15.35 ± 0.65 -3.67 ± 0.16
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Δδbound = -0.99 ppm
δboundδfree = 0.35
Detailed information about the solvation.
Solvent System Single Solvent
Solvent Propylene carbonate
Please find here information about the dataset this interaction is part of.
Citation:

A. J. Smetana, A. I. Popov, SupraBank 2024, Lithium-7 nuclear magnetic resonance and calorimetric study of lithium crown complexes in various solvents (dataset). https://doi.org/10.34804/supra.20210928211

Link: https://doi.org/10.34804/supra.20210928211
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. J. Smetana, A. I. Popov, J Solution Chem 1980, 9, 183–196.

Link: https://doi.org/10.1007/BF00648325
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Lithium perchlorate (0.04083466045979828 M) and 18-Crown-6 (0 — 0.08166932091959656 M).