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A slice imaging and multisurface wave packet study of the photodissociation of CH3I at 304 nm

Identifieur interne : 007245 ( Main/Merge ); précédent : 007244; suivant : 007246

A slice imaging and multisurface wave packet study of the photodissociation of CH3I at 304 nm

Auteurs : L. Rubio-Lago [Espagne] ; J. D. Rodriguez [Espagne] ; A. Garcia-Vela [Espagne] ; M. G. Gonzalez [Espagne] ; G. A. Amaral [Espagne] ; L. Banares [Espagne]

Source :

PCCP. Physical chemistry chemical physics : (Print) [ 1463-9076 ] ; 2011.

RBID : Pascal:11-0291000

Descripteurs français

Pascal (Inist)
- Formation image, Paquet onde, Photodissociation, Etat excité, Etude comparative, Etat fondamental, Résonance, Ionisation multiphotonique, Energie cinétique, Distribution énergie, Calcul ab initio, Modèle, Surface énergie potentielle, Photoionisation, Etude théorique, 3380G, 3115A.

English descriptors

KwdEn :
- Ab initio calculations, Comparative study, Energy distribution, Excited state, Ground state, Imaging, Kinetic energy, Models, Multiphoton ionization, Photodissociation, Photoionization, Potential energy surfaces, Resonance, Theoretical study, Wave packet.

Abstract

The role of the conical intersection between the ¹Q₁ and ³Q₀ excited states in the photodissociation of CH₃I at 304 nm is investigated drawing a comparison between the adiabatic-through direct absorption to the ³Q₁ state-and non-adiabatic-via the ¹Q₁ → ³Q₀ conical intersection-production of I atoms in the ground ²P_3/2 state. The versatility of the slice imaging technique in combination with resonance enhanced multiphoton ionization (REMPI) detection of I(²P_3/2) atoms allow distinct measurements of the competing processes. The I(²P_3/2) atom kinetic energy distributions (KEDs) obtained in both cases reflect inverted vibrational progressions of the v₂ umbrella mode of the CH₃ co-product. The experimental results show a satisfactory agreement with multisurface wave packet calculations using a reduced dimensionality (pseudotriatomic) model carried out on the available ab initio potential energy surfaces.

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Le document en format XML

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<author><name sortKey="Banares, L" sort="Banares, L" uniqKey="Banares L" first="L." last="Banares">L. Banares</name>
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<s2>28040 Madrid</s2>
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<placeName><region nuts="2" type="communauté">Communauté de Madrid</region>
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<series><title level="j" type="main">PCCP. Physical chemistry chemical physics : (Print)</title>
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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Ab initio calculations</term>
<term>Comparative study</term>
<term>Energy distribution</term>
<term>Excited state</term>
<term>Ground state</term>
<term>Imaging</term>
<term>Kinetic energy</term>
<term>Models</term>
<term>Multiphoton ionization</term>
<term>Photodissociation</term>
<term>Photoionization</term>
<term>Potential energy surfaces</term>
<term>Resonance</term>
<term>Theoretical study</term>
<term>Wave packet</term>
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<keywords scheme="Pascal" xml:lang="fr"><term>Formation image</term>
<term>Paquet onde</term>
<term>Photodissociation</term>
<term>Etat excité</term>
<term>Etude comparative</term>
<term>Etat fondamental</term>
<term>Résonance</term>
<term>Ionisation multiphotonique</term>
<term>Energie cinétique</term>
<term>Distribution énergie</term>
<term>Calcul ab initio</term>
<term>Modèle</term>
<term>Surface énergie potentielle</term>
<term>Photoionisation</term>
<term>Etude théorique</term>
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<front><div type="abstract" xml:lang="en">The role of the conical intersection between the <sup>1</sup>
Q<sub>1</sub>
 and <sup>3</sup>
Q<sub>0</sub>
 excited states in the photodissociation of CH<sub>3</sub>
I at 304 nm is investigated drawing a comparison between the adiabatic-through direct absorption to the <sup>3</sup>
Q<sub>1</sub>
 state-and non-adiabatic-via the <sup>1</sup>
Q<sub>1</sub>
 → <sup>3</sup>
Q<sub>0</sub>
 conical intersection-production of I atoms in the ground <sup>2</sup>
P<sub>3/2</sub>
 state. The versatility of the slice imaging technique in combination with resonance enhanced multiphoton ionization (REMPI) detection of I(<sup>2</sup>
P<sub>3/2</sub>
) atoms allow distinct measurements of the competing processes. The I(<sup>2</sup>
P<sub>3/2</sub>
) atom kinetic energy distributions (KEDs) obtained in both cases reflect inverted vibrational progressions of the v<sub>2</sub>
 umbrella mode of the CH<sub>3</sub>
 co-product. The experimental results show a satisfactory agreement with multisurface wave packet calculations using a reduced dimensionality (pseudotriatomic) model carried out on the available ab initio potential energy surfaces.</div>
</front>
</TEI>
<affiliations><list><country><li>Espagne</li>
</country>
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</region>
<settlement><li>Madrid</li>
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<tree><country name="Espagne"><region name="Communauté de Madrid"><name sortKey="Rubio Lago, L" sort="Rubio Lago, L" uniqKey="Rubio Lago L" first="L." last="Rubio-Lago">L. Rubio-Lago</name>
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<name sortKey="Amaral, G A" sort="Amaral, G A" uniqKey="Amaral G" first="G. A." last="Amaral">G. A. Amaral</name>
<name sortKey="Banares, L" sort="Banares, L" uniqKey="Banares L" first="L." last="Banares">L. Banares</name>
<name sortKey="Garcia Vela, A" sort="Garcia Vela, A" uniqKey="Garcia Vela A" first="A." last="Garcia-Vela">A. Garcia-Vela</name>
<name sortKey="Gonzalez, M G" sort="Gonzalez, M G" uniqKey="Gonzalez M" first="M. G." last="Gonzalez">M. G. Gonzalez</name>
<name sortKey="Rodriguez, J D" sort="Rodriguez, J D" uniqKey="Rodriguez J" first="J. D." last="Rodriguez">J. D. Rodriguez</name>
<name sortKey="Rubio Lago, L" sort="Rubio Lago, L" uniqKey="Rubio Lago L" first="L." last="Rubio-Lago">L. Rubio-Lago</name>
</country>
</tree>
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</record>

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A slice imaging and multisurface wave packet study of the photodissociation of CH3I at 304 nm

A slice imaging and multisurface wave packet study of the photodissociation of CH3I at 304 nm

Source :

Descripteurs français

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Links to Exploration step

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri