Interaction Scheme

Molecule

Untitled
TBACl

c = 0.0 — 609.0 µM

Host

Bisurea receptor
bisurea-receptor

c = 10.7 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 6700.0 ± 600.0 M-1
Kd =
logKa = 3.83 ± 0.04
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -21.84 ± 0.22 -5.22 ± 0.05
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents chloroform 99.85 %
water 0.15 %
Please find here information about the dataset this interaction is part of.
Citation:

B. W. Tresca, L. N. Zakharov, M. M. Haley, D. W. Johnson, C. N. Carroll, SupraBank 2024, Aryl C–H⋯Cl− hydrogen bonding in a fluorescent anion sensor (dataset). https://doi.org/10.34804/supra.20220628434

Link: https://doi.org/10.34804/supra.20220628434
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

B. W. Tresca, L. N. Zakharov, C. N. Carroll, D. W. Johnson, M. M. Haley, Chem. Commun. 2013, 49, 7240.

Link: https://doi.org/10.1039/c3cc44574g
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of TBACl (0.0029850746268656717 M) and bisurea-receptor (0 — 0.005970149253731343 M).