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Communication Dans Un Congrès Année : 2011

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

Résumé

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.
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Dates et versions

hal-00880780 , version 1 (06-11-2013)

Identifiants

  • HAL Id : hal-00880780 , version 1

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Phillip S. Peters, Denis Duflot, L. Wiesenfeld, Céline Toubin. Theoretical Investigation of the Formation of H2CO in the Interstellar Medium: An Example of a Water Assisted Reaction. International Conference on the Physics and Chemistry of Ice, Sep 2010, Sapporo, Japan. pp.299-306. ⟨hal-00880780⟩
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