Interaction

curated

Interaction Scheme

Molecule

bis%282 phenylpyridine%29 2 2' bipyridyliridium%28i%29
[Ir(I)(ppy)2(bpy)]+

c = 12.0 µM

Host

Cb10
CB10

c = 130.0 µM

Binding Properties

𝜈 Molecule 2 : 1 Host
Ka = 1.00⋅1012 ± 0.3 M-2
Kd =
logKa = 12.0 ± 0.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -68.5 ± 0.0 -16.37 ± 0.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 360.0 nm
𝛌em = 507.0 nm
Detailed information about the solvation.
Solvent System Buffer System 50 mM acetate pH-4.7
Source of Concentration
Total concentration 50.0 mM
pH 4.7
Please find here information about the dataset this interaction is part of.
Citation:

C. Woodward, A. Day, L. Wallace, L. R. Alrawashdeh, M. P. Cronin, SupraBank 2024, Modelling the luminescence of iridium cyclometalated complexes encapsulated in cucurbituril (dataset). https://doi.org/10.34804/supra.20220628438

Link: https://doi.org/10.34804/supra.20220628438
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

L. R. Alrawashdeh, M. P. Cronin, A. I. Day, L. Wallace, C. E. Woodward, Analyst 2018, 143, 519–527.

Link: https://doi.org/10.1039/C7AN01632H
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of [Ir(I)(ppy)2(bpy)]+ (2.0e-11 M) and CB10 (0 — 4.0e-11 M).