Interaction Scheme

Molecule

1 1 %283 carboxypentane 1 5 diyl%29dipyridinium
1,1'-(3-carboxypentane-1,5-diyl)dipyridinium

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka > 1.0 M-1
Kd >
logKa > 0.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG < 0.0 0.0
Comment
Binding not determined
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 Deuterium Oxide
pH 2.0
Please find here information about the dataset this interaction is part of.
Citation:

V. Sindelar, V. Kolman, P. Kulhanek, SupraBank 2022, Inclusion of Carboxyl Function Inside of Cucurbiturils and its Use in Molecular Switches (dataset). https://doi.org/10.34804/supra.2021092895

Link: https://doi.org/10.34804/supra.2021092895
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

V. Kolman, P. Kulhanek, V. Sindelar, Chem. Asian J. 2010, 5, 2386–2392.

Link: https://doi.org/10.1002/asia.201000388
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,1'-(3-carboxypentane-1,5-diyl)dipyridinium (20.0 M) and CB7 (0 — 40.0 M).