Low-wavenumber Raman susceptibility of n-butanol at 100 K and 300 K. The fitting procedure of the reduced intensity at 300 K is plotted in the inset, with the determination of relaxational and vibrational contributions to the spectrum.
High-wavenumber spectrum of n-butanol plotted at 100 K (glassy state) and 300 K (liquid state), composed of intramolecular CH (νCH) and OH (νOH) stretching bands. The inset corresponds to a zoom of the OH stretching region to clearly show the different band shapes at 100 and 300 K. The OH stretching spectrum of the crystal at 100 K was added in the inset, for comparing H-bonding in glassy, liquid, and crystalline states. Its intensity was divided by 5 for clarity.
Temperature dependence of the wavenumber corresponding to the maximum of Raman susceptibility. The dashed line is a guide for the eyes, to highlight the change in the ω(T)-behavior below Tm.
Temperature dependence of the χ ″(ω)/ω 2-plot used to show the deviation of χ ″(ω) from the ω 2 behavior, and considered as the Boson peak. The temperature dependence of the wavenumber of the Boson peak, ω BP(T), is shown in the inset.
Temperature dependence of the QES intensity, IQES. The temperature dependence of 1/IQES (circles) is plotted against Tg/T, with the fitting curve (line) corresponding to the VFT function exp[A×T0/(T−T0)] with A = 6.7 ± 0.1 and T0 = 45 K.
Temperature dependence of the intramolecular OH stretching spectrum.
Temperature dependence of the wavenumber of both OH stretching bands.
Temperature dependence of the integrated intensity of (a) ν(OH⋯O)1 and (b) ν(OH⋯H)2 stretching bands.
Temperature dependence of the X-ray diffraction pattern of amorphous n-butanol in the 0.2–1.9 Q-range. The X-ray intensity was normalized by the intensity maximum of the FSDP. A zoom of the low-Q region is displayed in the inset to show the influence of temperature on the position and width of the FSDP.
Temperature dependence of the FSDP parameters; (a) position of intensity maximum: QFSDP(T), (b) full width at half maximum: FWHM(T).
Time dependence of the X-ray diffraction pattern during the isothermal transformation of the undercooled liquid into the glacial state at 120 K.
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