• Organic Synthesis in the Inter...

Treffer: Organic Synthesis in the Interstellar Medium by Low-Energy Carbon Irradiation

Title:
Organic Synthesis in the Interstellar Medium by Low-Energy Carbon Irradiation
Authors:
MCBRIDE, E. J, MILLAR, T. J, KOHANOFF, J. J
Source:
The journal of physical chemistry. A. 117(39):9666-9672
Publisher Information:
Washington, DC: American Chemical Society, 2013.
Publication Year:
2013
Physical Description:
print, 32 ref
Original Material:
INIST-CNRS
Subject Terms:
General chemistry, physical chemistry, Chimie générale, chimie physique, Materials, Matériaux, Atomic molecular physics, Physique atomique et moléculaire, Sciences exactes et technologie, Exact sciences and technology, Chimie, Chemistry, Chimie organique, Organic chemistry, Réactivité et mécanismes, Reactivity and mechanisms, Chimie des radicaux libres, Free radicals chemistry, Terre, ocean, espace, Earth, ocean, space, Astronomie, Astronomy, Systèmes stellaires. Objets et systèmes galactiques et extragalactiques. L'univers, Stellar systems. Galactic and extragalactic objects and systems. The universe, Divers, Other topics on stellar systems; galactic and extragalactic objects and systems; the universe, Agrégat moléculaire, Molecular cluster, Agregado molecular, Agrégat solide, Solid clusters, Aldéhyde, Aldehyde, Aldehído, Carbone Atome, Carbon Atoms, Carbono Atomo, Collision atome molécule, Atom molecule collision, Colisión átomo molécula, Composé minéral, Inorganic compound, Compuesto inorgánico, Composé organique, Organic compounds, Compuesto orgánico, Dynamique moléculaire, Molecular dynamics, Dinámica molecular, Eau, Water, Agua, Evaporation, Evaporación, Formaldéhyde, Formaldehyde, Formaldehído, Fragmentation, Fragmentación, Interaction moléculaire, Molecular interaction, Interacción molecular, Matériau amorphe, Amorphous material, Material amorfo, Molécule diatomique, Diatomic molecule, Molécula diatómica, Molécule triatomique, Triatomic molecule, Molécula triatómica, Monoxyde de carbone, Carbon monoxide, Carbono monóxido, Méthode dynamique moléculaire, Molecular dynamics method, Método dinámico molecular, Radical libre organique, Organic free radical, Radical libre orgánico, Synthèse organique, Organic synthesis, Síntesis orgánica, Transfert proton, Proton transfer, Transferencia protón, (H2O)n, 3115Q, CO, H O, H2O
Time:
9838
Document Type:
Fachzeitschrift Article
File Description:
text
Language:
English
Author Affiliations:
Atomistic Simulation Centre, Queen's University Belfast, Belfast BT7 1NN, Northern Ireland, United Kingdom
Astrophysics Research Centre, Queen's University Belfast, Belfast BT7 1NN, Northern Ireland, United Kingdom
ISSN:
1089-5639
Access URL:
http://pascal-francis.inist.fr/vibad/index.php?action=search&terms=27894981
Rights:
Copyright 2015 INIST-CNRS
CC BY 4.0
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Notes:
Astronomy

Organic chemistry
Accession Number:
edscal.27894981
Database:
PASCAL Archive

Weitere Informationen

We present a first principles molecular dynamics (FPMD) study of the interaction of low-energy neutral carbon projectiles with amorphous solid water clusters at 30 K. Reactions involving the carbon atom at an initial energy of 11 and 1.7 eV with 30-molecule clusters have been investigated. Simulations indicate that the formation of hydroxymethylene, an intermediate in formaldehyde production, dominates at the higher energy. The reaction proceeds by fragmenting a water molecule, binding the carbon to the OH radical, and saturating the C valence with a hydrogen atom that can arise from the originally dissociated water molecule, or through a chain of proton transfer events. We identified several possible pathways for the formation of HCOH. When the initial collision occurs at the periphery of the cluster, we observe the formation of CO and the evaporation of water molecules. At the lower energy water fragmentation is not favorable, thus leading to the formation of weakly bound carbon―water complexes.