Interaction Scheme

Molecule

Untitled
Ammonium

Host

O %28me%292 1.1.1
o-(Me)2-1.1.1

c = 2000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 540.0 ± 40.0 M-1
Kd =
logKa = 2.73 ± 0.03
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -15.6 ± 0.18 -3.73 ± 0.04
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 Single Solvent
Solvent Acetonitrile-d3
Please find here information about the dataset this interaction is part of.
Citation:

O. Shyshov, M. von Delius, X. Wang, C. Jäger, M. Hanževački, SupraBank 2024, Ammonium Complexes of Orthoester Cryptands Are Inherently Dynamic and Adaptive (dataset). https://doi.org/10.34804/supra.20210928237

Link: https://doi.org/10.34804/supra.20210928237
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

X. Wang, O. Shyshov, M. Hanževački, C. M. Jäger, M. von Delius, J. Am. Chem. Soc. 2019, 141, 8868–8876.

Link: https://doi.org/10.1021/jacs.9b01350
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Ammonium (0.037037037037037035 M) and o-(Me)2-1.1.1 (0 — 0.07407407407407407 M).