Interaction

curated

Interaction Scheme

Molecule

1 1' bis%285 carboxypentyl%29 4 4' bipyridine 1 1' diium
Bis(5-carboxypentyl)-N,N'-bipyridiniium

Host

Cb7
CB7

Indicator

Trimethyladamantane
1-adamantyltrimethylammonium

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.00⋅105 M-1
Kd =
logKa = 5.3
T 25.0 °C ≈ 298 K
kin= 0.6 ± M-1s-1
kout= 3.0e-06 ± s-1
Energy kJ mol-1 kcal mol-1
ΔG = -30.26 -7.23
Comment
Binding Constant not determinated
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 261.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives sodium chloride 50.0 mM
Sodium hydroxide
pH 11.0
Please find here information about the dataset this interaction is part of.
Citation:

A. E. Kaifer, V. Sindelar, W. Li, S. Silvi, SupraBank 2024, Pronounced pH effects on the kinetics of cucurbit[7]uril-based pseudorotaxane formation and dissociation (dataset). https://doi.org/10.34804/supra.20210928123

Link: https://doi.org/10.34804/supra.20210928123
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. E. Kaifer, W. Li, S. Silvi, V. Sindelar, Chem. Commun. 2012, 48, 6693.

Link: https://doi.org/10.1039/C2CC32871B
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Bis(5-carboxypentyl)-N,N'-bipyridiniium (0.0001 M) and CB7 (0 — 0.0002 M).