Features of the association of azidoalcohols in CH2Cl2 were studied by IR spectroscopy using 1,3-diazidopropan-2-ol and 1-azidoethan-2-ol as examples. It was established that the investigated compounds could exist as two types of [OH…N3] associates. In the fi rst instance, the OH group was affected by strong intermolecular interactions like in common alcohols; in the second, the interactions were much weaker. Density functional theory and quantum theory of atoms-in-molecules were used to determine the structures of such associates and the energy parameters of the observed intermolecular interactions. Also, the experimental and calculated frequencies of OH stretching vibrations were correlated.
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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 81, No. 1, pp. 26–33, January–February, 2014.
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Karpov, S.V., Lodygina, V.P. & Malkov, G.V. Solution Structure of Azidoalcohols Studied by IR Spectroscopy and Quantum Chemistry. J Appl Spectrosc 81, 23–30 (2014). https://doi.org/10.1007/s10812-014-9881-1
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DOI: https://doi.org/10.1007/s10812-014-9881-1