Calculated versus measured product distributions of the OH+D2 reaction

Ernesto Garcia, Amaia Saracibar, Aurelio Rodriguez, Antonio Laganà, G. Lendvay

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Product distributions of the OH+D 2 ?HOD+D reaction, calculated using quasi-classical means, on various potential energy surfaces for the rotational states j D 2 =0, 1, 2, 3 and 4 of the D 2 molecule are compared with those derived from crossed molecular beam experiments with the aim of assessing the validity of the proposed potential energy functionals in describing the reaction channel of the system. Surprisingly, the most accurate surface, while leading to an excellent reproduction of translational and angular product distributions, was found to be unable to reproduce the measured vibrational distribution.

Original languageEnglish
Pages (from-to)839-846
Number of pages8
JournalMolecular Physics
Volume104
Issue number5-7
DOIs
Publication statusPublished - Mar 10 2006

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Potential energy surfaces
2,4-Dichlorophenoxyacetic Acid
Molecular beams
Potential energy
Reproduction
Molecules
products
potential energy
Experiments
rotational states
functionals
molecular beams
molecules

Keywords

  • OH+D →HOD+D reaction
  • Product distribution;

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Calculated versus measured product distributions of the OH+D2 reaction. / Garcia, Ernesto; Saracibar, Amaia; Rodriguez, Aurelio; Laganà, Antonio; Lendvay, G.

In: Molecular Physics, Vol. 104, No. 5-7, 10.03.2006, p. 839-846.

Research output: Contribution to journalArticle

Garcia, E, Saracibar, A, Rodriguez, A, Laganà, A & Lendvay, G 2006, 'Calculated versus measured product distributions of the OH+D2 reaction', Molecular Physics, vol. 104, no. 5-7, pp. 839-846. https://doi.org/10.1080/00268970500417697
Garcia, Ernesto ; Saracibar, Amaia ; Rodriguez, Aurelio ; Laganà, Antonio ; Lendvay, G. / Calculated versus measured product distributions of the OH+D2 reaction. In: Molecular Physics. 2006 ; Vol. 104, No. 5-7. pp. 839-846.
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