Interaction

curated

Interaction Scheme

Molecule

Untitled
Na+

Host

7 16 bis 2 %282 methoxyethoxy%29ethyl 1 4 10 13 tetraoxa 7 16 diazacyclooctadecane
7,16-Bis[2-(2-methoxyethoxy)ethyl]-1,4,10,13-te...

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2238.72 M-1
Kd =
logKa = 3.35
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -19.12 -4.57
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+ (0.008933676386506577 M) and 7,16-Bis[2-(2-methoxyethoxy)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (0 — 0.017867352773013153 M).