Production of Carbamic Acid Dimer from Ammonia-Carbon Dioxide Ices: Matching Observed and Computed IR Spectra
| Autor: | Erdi A. Bleda, Carl Trindle, Zikri Altun |
|---|---|
| Přispěvatelé: | Altun, Zikri, Bleda, Erdi, Trindle, Carl |
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
prebiotic chemistry
Dimer infrared spectra Infrared spectroscopy 010402 general chemistry Photochemistry 01 natural sciences Article General Biochemistry Genetics and Molecular Biology carbon dioxide-ammonia ices Ammonia chemistry.chemical_compound Carbamic acid 0103 physical sciences Molecule lcsh:Science 010303 astronomy & astrophysics KINETICS Ecology Evolution Behavior and Systematics AB-INITIO anharmonicity Paleontology carbamic acid IRRADIATION 0104 chemical sciences chemistry NH3 Space and Planetary Science Carbon dioxide Ammonium carbamate CO2 lcsh:Q Vibrational spectra |
| Zdroj: | Life, Vol 9, Iss 2, p 34 (2019) Life Volume 9 Issue 2 |
| ISSN: | 2075-1729 |
| Popis: | The production of complex molecules in ammonia&ndash 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&ndash ammonia complex, and the carbamic acid dimer. |
| Databáze: | OpenAIRE |
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