Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5141955 | Vibrational Spectroscopy | 2017 | 9 Pages |
Abstract
The molecular structure and properties of 4-(1-pyridinium)-butyric acid bromide have been characterized by X-ray diffraction, B3LYP/6-311 + +G(d,p) calculations, FTIR and Raman spectra, and compared with those of 4-(1-pyridinium)-butyrate dihydrate. The FTIR spectra show a broad absorption attributed to the νCOOHâ¯Br and νCOOâ¯H2O. In Raman spectra these absorptions are absent. The experimental and theoretical infrared spectra of these compounds are discussed. The vibrational spectra have been interpreted with the use of computed potential energy distribution (PED).
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Physical Sciences and Engineering
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Analytical Chemistry
Authors
M. Szafran, Z. Dega-Szafran, A. Katrusiak, A. Komasa,