Astronomy and Astrophysics – Astronomy
Scientific paper
Oct 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mwac.meet..p11w&link_type=abstract
Midwest Astrochemistry Meeting 2011, held 21-22 October at the University of Illinois at Urbana-Champaign. http://midwest.astroc
Astronomy and Astrophysics
Astronomy
Scientific paper
Quantum chemical cluster calculations using density functional theory were used to characterize the chemistry of cations deposited on an ice surface as well as the disposition of neutral ices to which an electron is added. In the case of cations, we find that substantial chemistry can occur. For example, HCO+ reacts with water in ice with no barrier to form protonated formic acid, which loses the proton to form the neutral carboxylic acid and solvated H3O+ as shown in Fig. 1 [Woon 2011]. When an electron is added to a neutral cluster of water and formaldehyde (H2CO), CO, or CO2, it forms the H2CO-, CO-, and CO2- anions, respectively. Interestingly, these anions are either unstable or metastable in the gas phase, but the water in ice stabilizes them. Our cluster calculations suggest that H2CO- will abstract H+ from water in the ice to form OH- and neutral H2COH, a precursor to methanol, while CO- and CO2- are less reactive and may be directly observable in laboratory studies of very low energy deposition of electrons on ice mixtures.
Chen Lina
Woon David E.
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