TY - JOUR
T1 - Infrared spectroscopic studies on 4-amino-6-oxopyrimidine in a low-temperature Xe matrix and crystalline polymorphs composed of double hydrogen-bonded ribbons
AU - Ohyama, Kazuko
AU - Goto, Kenta
AU - Shinmyozu, Teruo
AU - Yamamoto, Norifumi
AU - Iizumi, Shota
AU - Miyagawa, Masaya
AU - Nakata, Munetaka
AU - Sekiya, Hiroshi
PY - 2014/3/18
Y1 - 2014/3/18
N2 - 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.
AB - 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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U2 - 10.1016/j.cplett.2014.01.059
DO - 10.1016/j.cplett.2014.01.059
M3 - Article
AN - SCOPUS:84894615471
VL - 595-596
SP - 138
EP - 143
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
ER -