Interaction Scheme

Molecule

Ferrocene
1-(hydroxymethyl)-ferrocene

c = 0.0 — 60.0 µM

Host

Cb8
CB8

c = 26.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.63⋅106 M-1
Kd =
logKa = 6.56
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -37.44 -8.95
ΔH = -55.1 ± 0.42 -13.17 ± 0.1
-TΔS = 17.5 4.18
J mol-1 K-1 cal mol-1 K-1
ΔS = -58.7 -14.0
Comment
desalted CB8
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: MicroCal PEAQ-ITC
VCell = 200.0 𝜇L
VSyringe = 40.0 𝜇L
Molecule: syringe
cpartner = 26.0 𝜇M    cell
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

Z. Miskolczy, L. Biczok, L. M. Grimm, F. Biedermann, M. Megyesi, S. Sinn, S. Braese, A. Prabodh, SupraBank 2024, Teaching indicators to unravel the kinetic features of host–guest inclusion complexes (dataset). https://doi.org/10.34804/supra.20220717459

Link: https://doi.org/10.34804/supra.20220717459
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. Prabodh, S. Sinn, L. Grimm, Z. Miskolczy, M. Megyesi, L. Biczók, S. Bräse, F. Biedermann, Chem. Commun. 2020, 56, 12327–12330.

Link: https://doi.org/10.1039/D0CC03715J
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-(hydroxymethyl)-ferrocene (5.50812448361333e-06 M) and CB8 (0 — 1.101624896722666e-05 M).