Interaction

curated

Interaction Scheme

Molecule

Untitled
Na+

c = 10000.0 µM

Host

2.1.1 cryptand
[2.1.1]Cryptand

c = 100.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.20⋅106 ± 5.73⋅105 M-1
Kd =
logKa = 6.08 ± 0.2
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -34.7 ± 1.29 -8.29 ± 0.31
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Potentiometry
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents methanol 95.0 %
water 5.0 %
Please find here information about the dataset this interaction is part of.
Citation:

J. M. Lehn, J. P. Sauvage, SupraBank 2024, Cryptates. XVI. [2]-Cryptates. Stability and selectivity of alkali and alkaline-earth macrobicyclic complexes (dataset). https://doi.org/10.34804/supra.20210928103

Link: https://doi.org/10.34804/supra.20210928103
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. M. Lehn, J. P. Sauvage, J. Am. Chem. Soc. 1975, 97, 6700–6707.

Link: https://doi.org/10.1021/ja00856a018
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Na+ (1.6635275485942807e-05 M) and [2.1.1]Cryptand (0 — 3.327055097188561e-05 M).