A high-precision technique for the simultaneous measurement of the
speed of sound and density has been
used to characterize the inclusion of decyltrimethylammonium bromide
(DTAB) in the cavity of cyclodextrin
(β-CD) in water. The partial derivatives of the density, speed
of sound, volume, and compressibility with
respect to the molality of the guest at fixed moles of water and β-CD
have been obtained at 298.15 K, for
different concentrations of the host molecule. The associated
thermodynamic properties, molar volumes and
compressibilities, are very different in the presence or in the absence
of CD, when extrapolated to infinite
dilution. This can only be explained in terms of drastic changes
in the hydration state of the host and guest
in the reaction. A model involving hydration molecules of water
for the reaction has been proposed, yielding
6.5 water molecules within the CD in solution, as in solid state.
The compressibility results can be explained
in terms of the differences in hydrophobicity of the water and the
surfactant in the process. 1H NMR
together
with molecular modeling have been used to characterize the microscopic
structure of the complex, with results
consistent with those from analysis of the thermodynamic
properties.
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