Interaction Scheme

Molecule

Untitled
Rhodamine B benzyl ester

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.10⋅105 ± 1.60⋅104 M-1
Kd =
logKa = 5.04 ± 0.06
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -28.78 ± 0.36 -6.88 ± 0.09
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 555.0 nm
𝛌em = 583.0 nm
IboundIfree = 4.7
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

R. L. Halterman, J. L. Moore, K. A. Yakshe, J. A. I. Halterman, K. A. Woodson, SupraBank 2022, Inclusion complexes of cationic xanthene dyes in cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.2021092852

Link: https://doi.org/10.34804/supra.2021092852
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

R. L. Halterman, J. L. Moore, K. A. Yakshe, J. A. I. Halterman, K. A. Woodson, J Incl Phenom Macrocycl Chem 2009, 66, 231–241.

Link: https://doi.org/10.1007/s10847-009-9615-9
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Rhodamine B benzyl ester (0.0001818181818181818 M) and CB7 (0 — 0.0003636363636363636 M).