Abstract
The tautomeric composition of isolated adenine has been analyzed using computational IR spectroscopy. A comparison with experimental data has demonstrated that, in addition to adenine-N9H, which dominates in the quantitative content, two more tautomers that have the N9H imino and N7H amino forms exist in the isolated state and in the gas phase.
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Original Russian Text © G.N. Ten, T.G. Burova, R.S. Shcherbakov, V.I. Baranov, 2010, published in Optika i Spektroskopiya, 2010, Vol. 109, No. 6, pp. 1086–1093.
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Ten, G.N., Burova, T.G., Shcherbakov, R.S. et al. Determination of the tautomeric composition of adenine in the gas phase by vibrational spectroscopy methods: I. Analysis of IR spectra. Opt. Spectrosc. 109, 845–852 (2010). https://doi.org/10.1134/S0030400X10120064
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DOI: https://doi.org/10.1134/S0030400X10120064