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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Crystallization
ribbons
Hydrogen
Infrared radiation
Crystals
hydrogen
matrices
crystals
infrared spectra
Temperature
Polymorphism
Dehydration
dehydration
Irradiation
irradiation

All Science Journal Classification (ASJC) codes

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

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Infrared spectroscopic studies on 4-amino-6-oxopyrimidine in a low-temperature Xe matrix and crystalline polymorphs composed of double hydrogen-bonded ribbons. / Ohyama, Kazuko; Goto, Kenta; Shinmyozu, Teruo; Yamamoto, Norifumi; Iizumi, Shota; Miyagawa, Masaya; Nakata, Munetaka; Sekiya, Hiroshi.

In: Chemical Physics Letters, Vol. 595-596, 18.03.2014, p. 138-143.

Research output: Contribution to journalArticle

Ohyama, Kazuko ; Goto, Kenta ; Shinmyozu, Teruo ; Yamamoto, Norifumi ; Iizumi, Shota ; Miyagawa, Masaya ; Nakata, Munetaka ; Sekiya, Hiroshi. / Infrared spectroscopic studies on 4-amino-6-oxopyrimidine in a low-temperature Xe matrix and crystalline polymorphs composed of double hydrogen-bonded ribbons. In: Chemical Physics Letters. 2014 ; Vol. 595-596. pp. 138-143.
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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.",
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AU - Ohyama, Kazuko

AU - Goto, Kenta

AU - Shinmyozu, Teruo

AU - Yamamoto, Norifumi

AU - Iizumi, Shota

AU - Miyagawa, Masaya

AU - Nakata, Munetaka

AU - Sekiya, Hiroshi

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