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Open AccessArticle

Production of Carbamic Acid Dimer from Ammonia-Carbon Dioxide Ices: Matching Observed and Computed IR Spectra

1
Physics Department, Marmara University, 34722 Istanbul, Turkey
2
Chemistry Department, University of Virginia, Charlottesville, VA 22902, USA
*
Author to whom correspondence should be addressed.
Received: 20 February 2019 / Revised: 19 April 2019 / Accepted: 19 April 2019 / Published: 23 April 2019
The production of complex molecules in ammonia–carbon dioxide ices is presumed to pass through species of formula H3N:CO2 with further addition of ammonia and carbon dioxide. One possible landmark, carbamic acid, H2NCOOH, has been implicated among the products of warming and irradiation of such ices. Experimental study of the IR spectra of residues has suggested the presence of related species, including weakly bound 1:1 and 2:1 complexes of ammonia with carbon dioxide, zwitterionic carbamic acid, ammonium carbamate, and the dimer of carbamic acid. We computed the energetics and vibrational spectra of these species as well as the complex between ammonia and carbamic acid for gas and condensed phases. By means of a new spectrum-matching scoring between computed and observed vibrational spectra, we infer species that are most probably present. The leading candidates are ammonium carbamate, the carbamic acid–ammonia complex, and the carbamic acid dimer. View Full-Text
Keywords: prebiotic chemistry; carbamic acid; carbon dioxide-ammonia ices; infrared spectra; anharmonicity prebiotic chemistry; carbamic acid; carbon dioxide-ammonia ices; infrared spectra; anharmonicity
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Altun, Z.; Bleda, E.; Trindle, C. Production of Carbamic Acid Dimer from Ammonia-Carbon Dioxide Ices: Matching Observed and Computed IR Spectra. Life 2019, 9, 34.

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