Interaction Scheme

Molecule

Untitled
Sodium hydrosulfide hydrate

c = 0.0 — 5500.0 µM

Host

Me12bu
Me12BU

c = 1000.0 µM

Indicator

Untitled
TBACl

c = 1.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.70⋅104 M-1
Kd =
logKa = 4.23
T 28.0 °C 301 K
Energy kJ mol-1 kcal mol-1
ΔG = -24.39 -5.83
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Nuclear Magnetic Resonance
Δδbound = 0.04 ppm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents deuterated meth... 50.0 %
CD2Cl2 50.0 %
Please find here information about the dataset this interaction is part of.
Citation:

V. Sindelar, J. Vázquez Gonzálvez, SupraBank 2024, Supramolecular binding and release of sulfide and hydrosulfide anions in water (dataset). https://doi.org/10.34804/supra.20210928364

Link: https://doi.org/10.34804/supra.20210928364
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. Vázquez, V. Sindelar, Chem. Commun. 2018, 54, 5859–5862.

Link: https://doi.org/10.1039/C8CC00470F
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium hydrosulfide hydrate (0.001176470588235294 M) and Me12BU (0 — 0.002352941176470588 M).