Interaction

curated

Interaction Scheme

Molecule

Mg2
Mg2+

Host

2.1.1 cryptand
[2.1.1]Cryptand

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 316.23 ± 236.0 M-1
Kd =
logKa = 2.5 ± 0.3
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -14.27 ± 2.4 -3.41 ± 0.57
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 Single Solvent
Solvent water
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
Export: BibTex | RIS | EndNote
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
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Mg2+ (0.06324510640989153 M) and [2.1.1]Cryptand (0 — 0.12649021281978307 M).