Infrared spectroscopic studies on 4-amino-6-oxopyrimidine in a low-temperature Xe matrix and crystalline polymorphs composed of double hydrogen-bonded ribbons

Kazuko Ohyama, Kenta Goto, Teruo Shinmyozu, Norifumi Yamamoto, Shota Iizumi, Masaya Miyagawa, Munetaka Nakata, Hiroshi Sekiya

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Abstract

Infrared (IR) spectra of the enol and keto forms of 4-amino-6-oxopyrimidine (AOP) isolated in a low-temperature Xe matrix were recorded, where the change from the keto to the enol form was found to be induced by UV irradiation (λ > 270 nm). On the other hand, the hydrated crystal of AOP exhibited a similar IR spectrum to the anhydrous crystal by dehydration, suggesting that the dehydrated and anhydrous crystals are polymorphs. It has been found from the IR spectral analyses that the AOP crystal is dominated by infinite double H-bonded ribbons, which has been supported by quantum chemical calculations.

Original languageEnglish
Pages (from-to)138-143
Number of pages6
JournalChemical Physics Letters
Volume595-596
DOIs
Publication statusPublished - Mar 18 2014

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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