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On the mechanism of proton transfer in imidazole |
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| Authors: | G. N. Ten T. G. Burova V. I. Baranov |
| Affiliation: | (1) N. G. Chernyshevskii State University, Saratov;(2) V. I. Vernadskii Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Moscow |
| Abstract: | The force fields, in-plane vibrations, and relative intensities of Raman spectra have been calculated and analyzed for the N1H and N3H tautomers of imidazole, imidazolium cation, and their model structures. The results obtained for the isolated state of imidazole correspond to the intramolecular mechanism of proton transfer. |
| Keywords: | imidazole intermolecular and intramolecular mechanisms of proton transfer force fields Raman spectra calculation |
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