Interaction

curated

Interaction Scheme

Molecule

Tetrabutylammonium bromide
TBABr

c = 0.0 — 4970.0 µM

Host

Meobisurea receptor
bisurea-receptor-OMe

c = 10.53 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1000.0 ± 70.0 M-1
Kd =
logKa = 3.0 ± 0.03
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.12 ± 0.17 -4.09 ± 0.04
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, R. J. Hansen, C. V. Chau, B. P. Hay, L. N. Zakharov, M. M. Haley, D. W. Johnson, SupraBank 2024, Substituent Effects in CH Hydrogen Bond Interactions: Linear Free Energy Relationships and Influence of Anions (dataset). https://doi.org/10.34804/supra.20220621431

Link: https://doi.org/10.34804/supra.20220621431
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

B. W. Tresca, R. J. Hansen, C. V. Chau, B. P. Hay, L. N. Zakharov, M. M. Haley, D. W. Johnson, J. Am. Chem. Soc. 2015, 137, 14959–14967.

Link: https://doi.org/10.1021/jacs.5b08767
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of TBABr (0.02 M) and bisurea-receptor-OMe (0 — 0.04 M).