Interaction Scheme

Molecule

Untitled
AzobPy

Host

Bis scx4
bis-sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 716.0 M-1
Kd =
logKa = 2.85
T 29.85 °C 303 K
Energy kJ mol-1 kcal mol-1
ΔG = -16.56 -3.96
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Detailed information about the solvation.
Solvent System Single Solvent
Solvent
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, H. Qian, Y. Liu, SupraBank 2024, p-Sulfonatocalix[4]arene Supramolecular Polymers: Formation by Host-Guest Interactions and Light Response (dataset). https://doi.org/10.34804/supra.2021092859

Link: https://doi.org/10.34804/supra.2021092859
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Qian, D.-S. Guo, Y. Liu, Asian Journal of Organic Chemistry 2012, 1, 155–159.

Link: https://doi.org/10.1002/ajoc.201200050
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of AzobPy (0.027932960893854747 M) and bis-sCx4 (0 — 0.055865921787709494 M).