Infrared absorption spectra of molecular crystals: Possible evidence for small-polaron formation?
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The temperature dependence of the position of the so-called anomalous band peaked at 1650 cm(-1) in the IR-absorption spectrum of crystalline acetanilide (ACN) is theoretically investigated within the small-polaron theory. Its pronounced shift towards the position of the normal band is predicted with the rise of temperature. Interpretation of the IR-absorption spectra in terms of small-polaron model has been critically assessed on the basis of these results. (c) 2008 Elsevier B. V. All rights reserved.
Source:Chemical Physics Letters, 2008, 462, 4-6, 213-216
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