Interaction Scheme

Molecule

Methyl viologen
Methyl viologen

Host

Sulfocalix 5 arene
sCx5

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.51⋅105 ± 5784.34 M-1
Kd =
logKa = 5.4 ± 0.01
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -30.82 ± 0.06 -7.37 ± 0.01
ΔH = -31.52 ± 0.06 -7.53 ± 0.01
-TΔS = 0.67 ± 0.11 0.16 ± 0.03
J mol-1 K-1 cal mol-1 K-1
ΔS = -2.2 ± 0.4 -0.5 ± 0.1
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Detailed information about the solvation.
Solvent System Buffer System 100 mM phosphate pH-7.2
Solvents water
Additives Disodium hydrog... 66.6 mM
Sodium dihydrog... 33.4 mM
Source of Concentration estimated
Total concentration 100.0 mM
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, Y. Liu, L. Wang, SupraBank 2024, Highly Effective Binding of Methyl Viologen Dication and Its Radical Cation by p-Sulfonatocalix[4,5]arenes (dataset). https://doi.org/10.34804/supra.20210928146

Link: https://doi.org/10.34804/supra.20210928146
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

D.-S. Guo, L.-H. Wang, Y. Liu, J. Org. Chem. 2007, 72, 7775–7778.

Link: https://doi.org/10.1021/jo701304g
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Methyl viologen (7.962143510948584e-05 M) and sCx5 (0 — 0.00015924287021897168 M).