English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Formation of complex organic molecules in ice mantles: An ab initio molecular dynamics study

Inostroza, N., Mardones, D., Cernicharo, J., Zinnecker, H., Ge, J., Aria, N., et al. (2019). Formation of complex organic molecules in ice mantles: An ab initio molecular dynamics study. Astronomy and Astrophysics, 629: A28. doi:10.1051/0004-6361/201834035.

Item is

Basic

show hide
Item Permalink: http://hdl.handle.net/21.11116/0000-0005-20C6-7 Version Permalink: http://hdl.handle.net/21.11116/0000-0005-20C7-6
Genre: Journal Article

Files

show Files
hide Files
:
Formation of complex organic molecules in ice mantles An ab initio molecular dynamics study.pdf (Any fulltext), 647KB
 
File Permalink:
-
Name:
Formation of complex organic molecules in ice mantles An ab initio molecular dynamics study.pdf
Description:
-
Visibility:
Private
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-

Locators

show

Creators

show
hide
 Creators:
Inostroza, Natalia, Author
Mardones, Diego1, Author              
Cernicharo, Jose, Author
Zinnecker, Hans, Author
Ge, Jixing, Author
Aria, Nelson, Author
Fuentealba, Patricio, Author
Cardenas, Carlos, Author
Affiliations:
1Center for Astrochemical Studies at MPE, MPI for Extraterrestrial Physics, Max Planck Society, ou_1950287              

Content

show
hide
Free keywords: -
 Abstract: We present a detailed simulation of a dust grain covered by a decamer of (CH3OH)10-ice-mantle, bombarded by an OH closed-shell molecule with kinetic energies from 10–22 eV. The chemical pathways are studied through Born-Oppenheimer (ab initio) molecular dynamics. The simulations show that methanol ice-mantles can be a key generator of complex organic molecules (COMs). We report the formation of COMs such as methylene glycol (CH2(OH)2) and the OCH2OH radical, which have not been detected yet in the interstellar medium (ISM). We discuss the chemical formation of new species through the reaction of CH3OH with the hydroxyl projectile. The dependence of the outcome on the kinetic energy of the projectile and the implications for the observation and detection of these molecules might explain why the methoxy radical (CH3  ⋅ ) has been observed in a wider range of astrophysical environments than the hydroxymethyl (CH2OH ⋅) isomer. Because of the projectile kinetic energies required for these reactions to occur, we suggest that these processes are likely relevant in the production of COMs in photodissociation and shock regions produced by high-velocity jets and outflows from young stellar objects.

Details

show
hide
Language(s):
 Dates: 2019-07-10
 Publication Status: Published online
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1051/0004-6361/201834035
Other: LOCALID: 3176981
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Astronomy and Astrophysics
  Other : Astron. Astrophys.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: France : EDP Sciences S A
Pages: - Volume / Issue: 629 Sequence Number: A28 Start / End Page: - Identifier: ISSN: 1432-0746
CoNE: https://pure.mpg.de/cone/journals/resource/954922828219_1