N. Kimura et al., POLARIZED FT-IR SPECTRA OF WATER IN DODECYLBUTYLDIMETHYLAMMONIUM BROMIDE MONOHYDRATE, Journal of molecular structure, 324(1-2), 1994, pp. 11-18
Polarized infrared spectra of well-oriented crystalline thin films of
dodecylbutyldimethylammonium bromide monohydrate (DBDM.H2O) Were recor
ded in the region 5400-250 cm-1. From the results of the polychroism m
easurements and the X-ray analysis, water bands were divided into thre
e symmetry species (A1, B1, and B2). With the aid of frequencies and i
sotopic frequency ratios, the water bands were assigned to the three f
undamental vibrations, two librations, and their overtones and combina
tions. In the crystalline environment, we have observed the doublets f
or each of the vibrationally isolated OH and OD stretching bands of HO
D in isotopically diluted monohydrates DBDM.HOD. This spectral feature
suggests the presence of two distinct configurations of the water mol
ecule, one forming a strong and linear O1H...Br1 hydrogen bond and the
other forming a weak and slightly bent O1H...Br2 hydrogen bond. The r
esults in this work are discussed in connection with previous work. Th
e OH stretcing bands in DBDM.H2O appear at higher frequency than in do
decylpropyldimethylammonium bromide (DPDM).H2O or in DPDM.1/2H2O, whil
e the HOH scissoring, rocking, and wagging modes occur at lower freque
ncy. These are consistent with the weaker hydrogen bond of the water m
olecule and the longer O...Br hydrogen bond distance in DBDM.H2O than
in the DPDM hydrates. Correlation between nu(OD) and the O...Br distan
ce is also argued.