Abstract
The potential energy surfaces for the formation of glycine from HCN and H2O were determined from CBS-QB3 calculations. After the formation of a HCN trimer, amino malononitrile, amino malononitrile monoamide (3) was formed by a water addition reaction. Two pathways were found for the subsequent reaction, 3 + 2H2O → glycine + HNCO + NH3. One pathway involving an amino ketone was much more favored than the other pathway involving glycinamide. Addition of a water molecule as a catalyst greatly enhanced steps occurring by hydrogen rearrangement.
Original language | English |
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Pages (from-to) | 6-10 |
Number of pages | 5 |
Journal | Chemical Physics Letters |
Volume | 675 |
DOIs | |
State | Published - 2017 |
Keywords
- Astrobiology
- Astrophysics
- CBS calculation
- Prebiotic chemistry
- Reaction pathway