Interaction

curated

Interaction Scheme

Molecule

Lithium perchlorate
Lithium perchlorate

c = 20000.0 µM

Host

12 crown 4
12-Crown-4

c = 0.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 41.69 ± 2.88 M-1
Kd =
logKa = 1.62 ± 0.03
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -9.25 ± 0.17 -2.21 ± 0.04
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Δδbound = -0.3 ppm
δbound⁄δfree = 1.75
Detailed information about the solvation.
Solvent System Single Solvent
Solvent acetone
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
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Lithium perchlorate (0.47973135044375154 M) and 12-Crown-4 (0 — 0.9594627008875031 M).