Interaction

curated

Interaction Scheme

Molecule

1 1' bis%284 carboxybutyl%29 4 4' bipyridine 1 1' diium dibromide
viologene-Ferrocenyl-dibromide

Host

Cb6
CB6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 800.0 ± 500.0 M-1
Kd =
logKa = 2.9 ± 0.32
T 23.0 °C ≈ 296 K
Energy kJ mol-1 kcal mol-1
ΔG = -16.46 ± 1.81 -3.93 ± 0.43
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 262.0 nm
Detailed information about the solvation.
Solvent System Buffer System 0.1 M NaCl pH-2.0
Solvents water
Source of Concentration estimated
pH 2.0
Please find here information about the dataset this interaction is part of.
Citation:

D. Sobransingh, V. Sindelar, S. Silvi, S. Parker, A. Kaifer, SupraBank 2024, Proton and Electron Transfer Control of the Position of Cucurbit[n]uril Wheels in Pseudorotaxanes (dataset). https://doi.org/10.34804/supra.20231115504

Link: https://doi.org/10.34804/supra.20231115504
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

V. Sindelar, S. Silvi, S. E. Parker, D. Sobransingh, A. E. Kaifer, Adv Funct Materials 2007, 17, 694–701.

Link: https://doi.org/10.1002/adfm.200600969
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of viologene-Ferrocenyl-dibromide (0.025 M) and CB6 (0 — 0.05 M).