Molecular Structure and Infrared Spectrum of Solid Amino Formate (HCO 2 NH 2 ): Relevance to Interstellar Ices

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We report the infrared spectrum of the reaction product of isocyanic acid (HNCO) and water (H 2 O) at 20 K. The reaction is catalyzed by hydrochloric acid (HCl) even at low temperatures. The resulting product is identified to be amino formate (HCO 2 NH 2 ). This identification has been achieved by comparison of the IR spectrum of the product with the corresponding spectra of formic acid (HCO 2 H), methyl formate (HCO 2 CH 3 ), and formamide (HCONH 2 ), all of which have the H–C=O group. The results of ab initio quantum mechanical calculations of the harmonic frequencies and the infrared intensities of the most stable structure containing NH 2 OCHO groups also agree with the laboratory data. Such complex organics may be produced on the cold interstellar grains and on planetary objects by radiation and/or catalytically induced reactions involving simple C-, H-, N-, and O-containing species.