The complexes of
cetyl alcohol, cetomacrogol-1000, and water were
successfully synthesized. The complexes were characterized by freeze-drying
scanning electron microscopy, small-angle X-ray diffraction (SAXD),
and ultra-SAXD. Furthermore, structures, electronic properties (the
HOMO–LUMO gap, ionization potential, electron affinity, electronegativity,
hardness, softness, dipole moment, and polarizability), and Raman
spectra of cetyl alcohol, cetomacrogol-1000, and their binary and
ternary complexes with water were also studied using density functional
theory. The calculated lengths of hydrophilic heads in the ternary
complexes were in good agreement with SAXD data. The results indicated
the existence of two types of interlamellar spacings between successive
swollen bilayers (approximately 144 and 72 Å) when polyoxyethylene
groups of cetomacrogol-1000 molecules were completely hydrated and
stretched. Besides, in comparison with the monomers, the ternary complex
of cetyl alcohol, cetomacrogol-1000, and water with the molecular
ratio of 1:1:1 (cetyl-ceto-H2O-1 complex) had outstanding
properties.