Interaction Scheme

Molecule

Methyl viologen
Methyl viologen

Host

D scx4
d-sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.59⋅106 ± 6.00⋅104 M-1
Kd =
logKa = 6.56 ± 0.01
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -37.42 ± 0.04 -8.94 ± 0.01
ΔH = -33.2 ± 0.1 -7.93 ± 0.02
-TΔS = 4.2 ± 0.1 1.0 ± 0.02
J mol-1 K-1 cal mol-1 K-1
ΔS = -14.1 ± 0.3 -3.4 ± 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 Single Solvent
Solvent
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, Y. Liu, K. Wang, H. Zhao, SupraBank 2024, Synthesis of Doubly Ethyl-Bridged Bis(p-sulfonatocalix[4]arene) and Its Supramolecular Polymerization with Viologen Dimer (dataset). https://doi.org/10.34804/supra.2021092864

Link: https://doi.org/10.34804/supra.2021092864
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

K.-P. Wang, D.-S. Guo, H.-X. Zhao, Y. Liu, Chem. Eur. J. 2014, 20, 4023–4031.

Link: https://doi.org/10.1002/chem.201303344
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Methyl viologen (5.571030640668524e-06 M) and d-sCx4 (0 — 1.1142061281337048e-05 M).