Interaction

curated

Interaction Scheme

Molecule

Tris%281 10 phenanthroline%29iridium%283 %29
Ir(III)[phen]3

Host

Cb10
CB10

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka > 1.00⋅107 M-1
Kd >
logKa > 7.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG < -39.96 -9.55
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
Δδbound = 0.44 ppm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

K. M. Anis-Ul-Haque, C. Woodward, A. Day, L. Wallace, SupraBank 2024, Interaction of the Large Host Q[10] with Metal Polypyridyl Complexes: Binding Modes and Effects on Luminescence (dataset). https://doi.org/10.34804/supra.20210928279

Link: https://doi.org/10.34804/supra.20210928279
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

K. M. Anis-Ul-Haque, C. E. Woodward, A. I. Day, L. Wallace, Inorg. Chem. 2020, 59, 3942–3953.

Link: https://doi.org/10.1021/acs.inorgchem.9b03603
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Ir(III)[phen]3 (2.0e-06 M) and CB10 (0 — 4.0e-06 M).