Interaction

curated

Interaction Scheme

Molecule

Chloride
Cl-

Host

Me12bu
Me12BU

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.80⋅105 ± 6.00⋅104 M-1
Kd =
logKa = 5.58 ± 0.07
T 30.0 °C ≈ 303 K
Energy kJ mol-1 kcal mol-1
ΔG = -32.38 ± 0.4 -7.74 ± 0.1
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents chloroform 50.0 %
methanol 50.0 %
Please find here information about the dataset this interaction is part of.
Citation:

V. Sindelar, J. Svec, Á. Révész, D. Schröder, M. Wimmerová, SupraBank 2024, Anion Binding by Bambus[6]uril Probed in the Gas Phase and in Solution (dataset). https://doi.org/10.34804/supra.20210928107

Link: https://doi.org/10.34804/supra.20210928107
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Á. Révész, D. Schröder, J. Svec, M. Wimmerová, V. Sindelar, J. Phys. Chem. A 2011, 115, 11378–11386.

Link: https://doi.org/10.1021/jp205218k
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Cl- (5.2631578947368424e-05 M) and Me12BU (0 — 0.00010526315789473685 M).