Interaction Scheme

Molecule

Coumarin 30 neutral
Coumarin-30-neutral

c = 1.1 µM

Host

Cb7
CB7

c = 0.0 — 90.0 µM

Binding Properties

𝜈 Molecule 1 : 2 Host
Ka = 1.27⋅109 M-2
Kd =
logKa = 9.1
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -51.97 -12.42
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 463.0 nm
𝛌em = 505.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water 100.0 %
Additives hydrochloric acid
Perchloric acid
pH 3.0
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, N. Barooah, A. C. Bhasikuttan, M. Sundararajan, SupraBank 2024, Synergistic Effect of Intramolecular Charge Transfer toward Supramolecular pKa Shift in Cucurbit[7]uril Encapsulated Coumarin Dyes (dataset). https://doi.org/10.34804/supra.20210928179

Link: https://doi.org/10.34804/supra.20210928179
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. Barooah, M. Sundararajan, J. Mohanty, A. C. Bhasikuttan, J. Phys. Chem. B 2014, 118, 7136–7146.

Link: https://doi.org/10.1021/jp501824p
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Coumarin-30-neutral (1.5735641227380017e-08 M) and CB7 (0 — 3.147128245476003e-08 M).