Interaction Scheme

Molecule

Untitled
Lithium tetrafluoroborate

c = 0.0 — 2500000.0 µM

Host

O %28ch3%29 2

c = 5000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2290.0 M-1
Kd =
logKa = 3.36
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -19.18 -4.58
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
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:

M. von Delius, R. Brachvogel, H. Maid, SupraBank 2024, NMR Studies on Li+, Na+ and K+ Complexes of Orthoester Cryptand o-Me2-1.1.1 (dataset). https://doi.org/10.34804/supra.20210928203

Link: https://doi.org/10.34804/supra.20210928203
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

R.-C. Brachvogel, H. Maid, M. von Delius, IJMS 2015, 16, 20641–20656.

Link: https://doi.org/10.3390/ijms160920641
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Lithium tetrafluoroborate (0.008733624454148471 M) and o-(CH3)2-1.1.1 (0 — 0.017467248908296942 M).