Non-energetic Formation of Ethanol via CCH Reaction with Interstellar H₂O Ices. A Computational Chemistry Study.

ABSTRACT: Ethanol (CH₃CH₂OH) is a relatively common molecule, often found in star-forming regions. Recent studies suggest that it could be a parent molecule of several so-called interstellar complex organic molecules (iCOMs). However, the formation route of this species remains under debate. In the present work, we study the formation of ethanol through the reaction of CCH with one H₂O molecule belonging to the ice as a test case to investigate the viability of chemical reactions based on a "radical + ice component" scheme as an alternative mechanism for the synthesis of iCOMs, beyond the usual radical-radical coupling. This has been done by means of DFT calculations adopting two clusters of 18 and 33 water molecules as ice models. Results indicate that CH₃

SUBMITTER: Perrero J 

PROVIDER: S-EPMC8935465 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature