Titre :

Theoretical Investigation of the Formation of H₂CO in the Interstellar Medium: An Example of a Water Assisted Reaction

Auteur(s) :

Peters, Phillip [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Institut de Planétologie et d'Astrophysique de Grenoble [IPAG]
Duflot, Denis [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Wiesenfeld, L. [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Institut de Planétologie et d'Astrophysique de Grenoble [IPAG]
Toubin, Céline [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]

Éditeur(s) ou directeur(s) scientifique(s) :

Y. Furukawa
G. Sazaki
T. Uchida
N. Watanabe

Titre de la manifestation scientifique :

International Conference on the Physics and Chemistry of Ice

Ville :

Sapporo

Pays :

Japon

Date de début de la manifestation scientifique :

2010-09-05

Éditeur :

Hokkaido University Press

Date de publication :

2011

Discipline(s) HAL :

Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]

Résumé en anglais : [en]

A concerted hydrogen atom transfer mechanism has been derived for the isomerization of trans-HCOH to H₂CO. This mechanism has been elucidated by using a variety of ab initio and DFT methods. This work places ...
Lire la suite >A concerted hydrogen atom transfer mechanism has been derived for the isomerization of trans-HCOH to H₂CO. This mechanism has been elucidated by using a variety of ab initio and DFT methods. This work places specific emphasis on the role that water can play as a catalyst for this reaction and the mechanism by which this is achieved. This is of particular importance in the context of the interstellar medium since the presence of water in this reaction reduces the activation energy from ca.30 kcal/mol to less than 1 kcal/mol.Lire moins >

Langue :

Anglais

Comité de lecture :

Oui

Audience :

Internationale

Vulgarisation :

Non

Collections :

• Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM) - UMR 8523

Source :

Harvested from HAL