http://www.cnr.it/ontology/cnr/individuo/prodotto/ID287755

Ultrafast dissociation in polyhalogenated ethane: Alternative mechanisms (Articolo in rivista)

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Ultrafast dissociation in polyhalogenated ethane: Alternative mechanisms (Articolo in rivista) (literal)

Anno

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Alternative label

Travnikova, Oksana; Nicolas, Christophe; Kimberg, Victor; Flammini, Roberto; Liu, Xiaojing; Patanen, Minna; Svensson, Svante; Miron, Catalin (2014)
Ultrafast dissociation in polyhalogenated ethane: Alternative mechanisms
in Journal of physics. Conference series (Print); Institute of Physics Publishing, Bristol (Regno Unito)
(literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

Travnikova, Oksana; Nicolas, Christophe; Kimberg, Victor; Flammini, Roberto; Liu, Xiaojing; Patanen, Minna; Svensson, Svante; Miron, Catalin (literal)

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Rivista

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Note

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Synchrotron SOLEIL, l'Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex, France CFEL, Max-Planck Advanced Study Group, Notkestrasse 85, 22607 Hamburg, Germany IMIP-CNR Istituto di Metodologie Inorganiche e dei Plasmi, 00019 Monterotondo Scalo, Roma, Italy Department ol Physics, University ol Uppsala, Box 530, 75121 Uppsala, Swede (literal)

Titolo

Ultrafast dissociation in polyhalogenated ethane: Alternative mechanisms (literal)

Abstract

Dissociation, a simple unimolecular reaction, can be obscure, especially in complex molecules with numerous degrees of freedom. Here we suggest an ultrafast dissociation mechanism involving multimode dynamics evolving on the barrierless potential energy surface. The mechanism is elaborated from the analysis of the nuclear dynamics in X-ray excited molecules. It implies that in large molecules dissociation may yield to heavy fragments on very short timescales owing to the internal motion of light linkages. In particular, the rotation of the C2H4-moiety in 1-bromo-2-chloroethane leads to the dissociation of C-Cl or C-Br bonds in Cl2p or Br3d core-excited states in ~ 7 fs (literal)

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