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.
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Translated from Zhurnal Strukturnoi Khimii, Vol. 48, No. 4, pp. 674–685, July–August, 2007.
Original Russian Text Copyright © 2007 by G. N. Ten, T. G. Burova, and V. I. Baranov
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Ten, G.N., Burova, T.G. & Baranov, V.I. On the mechanism of proton transfer in imidazole. J Struct Chem 48, 623–633 (2007). https://doi.org/10.1007/s10947-007-0095-8
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DOI: https://doi.org/10.1007/s10947-007-0095-8