The source of similarity of the IR spectra of acetic acid in the liquid and solid-state phases

作者：Flakus Henryk T^*; Hachula Barbara

来源：Vibrational Spectroscopy, 2011, 56(2): 170-176.

DOI：10.1016/j.vibspec.2011.02.001

• Hydrogen bond
• Molecular crystals
• IR spectra
• Vibrational exciton coupling
• Dynamical co-operative interactions
• Dimers
• Phase transition

This paper explains the problem of the fair similarity of the v(O-H) band contour shapes in the spectra of liquid and crystal samples of hydrogen-bonded acetic acid, in contrast to the corresponding spectral properties of formic acid. It has been proven that regardless of the relative arrangement of hydrogen bonds in each phase, the hydrogen-bonded dimeric systems decide about the profile of the bands. Moreover, the model dimers of different symmetry, i.e., the C(i) or C(2v) one of the "side-to-side" type arrangement of moieties, yield nearly identical spectra. Qualitatively similar spectral properties in the v(O-D) band frequency range were found for deuterium-bonded formic and acetic acid isotopologues.

• 出版日期2011-7-18