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

研究成果: Contribution to journalArticle査読

1 被引用数 (Scopus)

抄録

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.

本文言語英語
ページ(範囲)138-143
ページ数6
ジャーナルChemical Physics Letters
595-596
DOI
出版ステータス出版済み - 3 18 2014

All Science Journal Classification (ASJC) codes

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

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