Ukrainian Journal of Physical Optics

Number 1, Volume 4, 2003

Role of Low-Frequency Modes in the Formation of Dielectric Function of b-Alanine Molecular Crystal (download full version)

Dovbeshko G., Gridyakina A., Romanyuk V.

Dielectric permeability e₀ of b-alanine (b-Ala) single crystals is studied with the IR spectroscopy technique and the appropriate calculations. We have calculated the dielectric permeability from the reflectance spectra, using the dispersive analysis and the harmonic multi-oscillator model. The calculations of e₀ from the reflectance spectra of (010) b-Ala crystal plane in the 400-4000 cm-1 region have earlier shown that it is impossible to achieve the e₀ values experimentally measured in the microwave region (e₀^c=5.3, e₀^a=4.0). The calculated data differ two times from those experimentally measured for one of the directions. The polarized IR reflectance spectra of ?-Ala single crystal and the transmittance spectra of the corresponding powder are detected in the 100-5300 cm^-1 region. The account for the low-frequency modes (400, 321, 218, 180 cm^-1) finally gives a possibility to obtain a good agreement between the calculated and experimental results. The large contribution to e₀, which is mainly due to the oscillator at 218 cm-1, is essential only for one of the alternative polarizations (E || the small axis of the (010) crystal plane). It seems to be associated with the H-bonded inter-molecular vibrations.

Key words: Dielectric function, model of non-interacting oscillators, b-alanine.
PACS: 81.10.Dn, 87.64.Rr,42.70.Jk

doi 10.3116/16091833/4/1/27/2003

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