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Analysis of hydrogen bonds by the IR spectra of thymine and N1,N3-deuterothymine
Authors:G.?N.?Ten  author-information"  >  author-information__contact u-icon-before"  >  mailto:TenGN@info.sgu.ru"   title="  TenGN@info.sgu.ru"   itemprop="  email"   data-track="  click"   data-track-action="  Email author"   data-track-label="  "  >Email author,T.?G.?Burova,V.?I.?Baranov
Affiliation:(1) N. G. Chernyshevskii Saratov State University, 155 Moskovskaya Str., Saratov, 410026, Russia;(2) V. I. Vernadsky Institute for Geochemistry and Analytical Chemistry, Moscow, Russia
Abstract:Calculations of the frequencies and absolute intensities of the IR bands of plane vibrations of thymine and N1,N3-deuterothymine in various phase states have been carried out. It has been shown that in the polycrystalline state thymine forms hydrogen bonds C2=O8...HN1 and C2=O8...HN3, and in an aqueous solution the intermolecular interaction is realized by means of the hydrogen bonds O8...HO and O...HN1.__________Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 72, No. 1, pp. 99–105, January–February, 2005.
Keywords:thymine  N1,N3-deuterothymine  IR spectrum  calculation  hydrogen bond
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