Monthly Notices of the Royal Astronomical Society · 2015 · 87 citations · 45 references
Natural SciencesChemistryPhysicsAstrophysicsInterstellar MediumPhysical ChemistryIce ChemistryInterstellar ChemistryInterstellar DustInterstellar GasInterstellar MoleculesMolecular Formation PathwaysComplex Organic Molecule FormationFormation Of Complex Organic MoleculesHydrogenationHydrogenation ReactionsInfrared Spectroscopy Of Interstellar IcesInterstellar Ice ChemistryInterstellar Ices ChemistryRadical Species
Among all existing complex organic molecules, glycolaldehyde HOCH2CHO and ethylene glycol HOCH2CH2OH are two of the largest detected molecules in the interstellar medium. We investigate both experimentally and theoretically the low-temperature reaction pathways leading to glycolaldehyde and ethylene glycol in interstellar grains. Using infrared spectroscopy, mass spectroscopy and quantum calculations, we investigate formation pathways of glycolaldehyde and ethylene glycol based on HCO• and •CH2OH radical–radical recombinations. We also show that •CH2OH is the main intermediate radical species in the H2CO to CH3OH hydrogenation processes. We then discuss astrophysical implications of the chemical pathway we propose on the observed gas-phase ethylene glycol and glycolaldehyde.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
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Efficient molecular numerical integration schemes
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I. M. Alecu, Jingjing Zheng, Yan Zhao et al. · Journal of Chemical Theory and Computation · 2010 · 1.6K citations · Full text
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