Interaction

curated

Interaction Scheme

Molecule

ir%28ppy ch2nh2bu%292%28bpy%29 3
[Ir(ppy-CH2NH2Bu)2(bpy)]3+

c = 7.6 µM

Host

Cb10
CB10

c = 48.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5.00⋅106 ± 1.0 M-1
Kd =
logKa = 6.7 ± 0.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -38.24 ± 0.0 -9.14 ± 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 = 514.0 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(ppy-CH2NH2Bu)2(bpy)]3+ (4.0e-06 M) and CB10 (0 — 8.0e-06 M).