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Reduction of C=O functional groups through H addition reactions: a comparative study between H2CO + H, CH3CH2CHO + H and CH3OCHO + H under interstellar conditions.
- Source :
- Physical Chemistry Chemical Physics (PCCP); 8/14/2018, Vol. 20 Issue 30, p19971-19978, 8p
- Publication Year :
- 2018
-
Abstract
- H-addition reactions on the icy interstellar grains may play an important role in the formation of complex organic molecules. In the present work we propose a comparative study of H<subscript>2</subscript>CO + H, CH<subscript>3</subscript>CH<subscript>2</subscript>CHO + H and CH<subscript>3</subscript>OCHO + H solid state reactions at 10 K under interstellar conditions in order to characterize the main reaction pathways involved in the hydrogenation of a CHO functional group. We show that the most probable mechanism for the formation of alcohols under non-energetic conditions through the saturation of the CHO group corresponds to the attachment of the H atom to the CH group with noticeable variations of the energy barriers for each studied reaction. These energy barriers have been calculated to be 8.3, 14.6 and 32.7 kJ mol<superscript>−1</superscript> for H<subscript>2</subscript>CO + H, CH<subscript>3</subscript>CH<subscript>2</subscript>CHO + H and CH<subscript>3</subscript>OCHO + H, respectively. The coupling of the experimental and theoretical analysis proves that while the simplest aldehyde, formaldehyde, is easily reduced to methanol, methylformate and propanal behave differently under H-bombardments but they cannot be a source of alcohol formation through H-addition reactions. Consequently, for the formation of alcohols larger than CH<subscript>3</subscript>OH, other chemical pathways should be taken into account, probably energetic processing such as the photolysis of interstellar ice analogues containing C-, H- and O-bearing compounds or the coupling of the H-addition reaction and photon-irradiation on species with a CHO functional group. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14639076
- Volume :
- 20
- Issue :
- 30
- Database :
- Complementary Index
- Journal :
- Physical Chemistry Chemical Physics (PCCP)
- Publication Type :
- Academic Journal
- Accession number :
- 131028674
- Full Text :
- https://doi.org/10.1039/c8cp03249a