Interaction Scheme

Molecule

Untitled
Methyltrioctylammonium chloride

Host

Untitled
Au-Cx5P-PTA

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.40⋅104 ± 2000.0 M-1
Kd =
logKa = 4.38 ± 0.04
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -25.0 ± 0.21 -5.98 ± 0.05
ΔH = -8.79 ± 1.67 -2.1 ± 0.4
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 acetone
Please find here information about the dataset this interaction is part of.
Citation:

Q. Sun, G. Aragay, A. Pinto, E. Aguiló, L. Rodriguez, P. Ballester, SupraBank 2024, Influence of the Attachment of a Gold(I) Phosphine Moiety at the Upper Rim of a Calix[4]pyrrole on the Binding of Tetraalkylammonium Chloride Salts (dataset). https://doi.org/10.34804/supra.20210928280

Link: https://doi.org/10.34804/supra.20210928280
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Q. Sun, G. Aragay, A. Pinto, E. Aguiló, L. Rodríguez, P. Ballester, Chem. Eur. J. 2020, 26, 3348–3357.

Link: https://doi.org/10.1002/chem.201905160
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Methyltrioctylammonium chloride (0.0008333333333333334 M) and Au-Cx5P-PTA (0 — 0.0016666666666666668 M).