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26 April 2024 |
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The (impossible?) formation of acetaldehyde on the grain surfaces: insights from quantum chemical calculations | | Joan Enrique-Romero
; Albert Rimola
; Cecilia Ceccarelli
; Nadia Balucani
; | | Date: |
30 Mar 2016 | | Abstract: | Complex Organic Molecules (COMs) have been detected in the interstellar
medium (ISM). However, it is not clear whether their synthesis occurs on the
icy surfaces of interstellar grains or via a series of gas-phase reactions. As
a test case of the COMs synthesis in the ISM, we present new quantum chemical
calculations on the formation of acetaldehyde (CH3CHO) from the coupling of the
HCO and CH3 radicals, both in gas phase and on water ice surfaces. The binding
energies of HCO and CH3 on the amorphous water ice were also computed (2333 and
734 K, respectively). Results indicate that, in gas phase, the products could
be either CH3CHO, CH4 + CO, or CH3OCH, depending on the relative orientation of
the two radicals. However, on the amorphous water ice, only the CH4 + CO
product is possible due to the geometrical constraints imposed by the water ice
surface. Therefore, acetaldehyde cannot be synthesized by the CH3 + HCO
coupling on the icy grains. We discuss the implications of these results and
other cases, such as ethylene glycol and dimethyl ether, in which similar
situations can occur, suggesting that formation of these molecules on the grain
surfaces might be unlikely. | | Source: | arXiv, 1603.9096 | | Services: | Forum | Review | PDF | Favorites | |
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