Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 109, Issue 49, Pages 11155-11162Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp054903w
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The UV isomerization of formamide (HCONH2) trapped in xenon, nitrogen, argon, and neon cryogenic matrices has been monitored by Fourier transform infrared (FT-IR) spectroscopy. Formamide monomer is the only species present in the matrices after deposition; when UV-selective irradiation was carried out at 240 nm, the n -> pi* transition allowed us to observe the formation of several isomers of formimidic acid [H(OH)C=NH]. On these latter species, we carried out selective IR irradiation of their OH stretching mode and compared the experimental and theoretical (B3LYP/6-311+G(2d,2p)) sets of bands. This study allowed us to characterize for the first time all the isomers of formimidic acid. We have then studied the vacuum UV photodecomposition (lambda > 160 nm) of this molecule at 10 K in argon and xenon matrices. Several primary photoproducts such as (HCNH2O)-H-., (HNCH2O)-H-., and (HNCOH2)-H-. complexes, yielded by dehydration and dehydrogenation processes, were characterized.
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