Reference : Unimolecular Reaction Dynamics from Kinetic Energy Release Distributions. 2. A Study ...
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Chemistry
http://hdl.handle.net/2268/122182
Unimolecular Reaction Dynamics from Kinetic Energy Release Distributions. 2. A Study of the Reaction C6H5Br+->C6H5++Br by the Maximum Entropy Method.
English
Urbain, P. [> >]
Remacle, Françoise mailto [Université de Liège - ULg > Département de chimie (sciences) > Laboratoire de chimie physique théorique >]
Leyh, Bernard mailto [Université de Liège - ULg > Département de chimie (sciences) > Laboratoire de dynamique moléculaire >]
Lorquet, Jean-Claude mailto [Université de Liège - ULg > Services généraux (Faculté des sciences) > Relations académiques et scientifiques (Sciences) >]
1996
Journal of Physical Chemistry
American Chemical Society
100
19
8003-8007
Yes (verified by ORBi)
International
0022-3654
Washington
DC
[en] Kinetic energy release ; Metastable dissociation ; Maximum entropy method ; Energy partitioning ; Phase space sampling
[en] The kinetic translational energy released in the unimolecular fragmentation reaction C6H5Br+->C6H5++Br has been experimentally studied in the microsecond time scale and theoretically analyzed by the maximum entropy formalism. The appropriate functional form relating the actual distribution to its prior distribution (eq.2.3) involves the square root of the kinetic energy (i.e. the momentum associated with the relative translational energy). A value of 0.26+/-0.02 eV is obtained by the entropy deficiency distribution at an internal energy of 0.85 eV above the reaction threshold. From this value, it can be concluded that 77% of the transition state phase space is efficiently sampled.
Laboratoire de Dynamique Moléculaire
Fonds de la Recherche Fondamentale Collective d'Initiative des Chercheurs - FRFC
Researchers
http://hdl.handle.net/2268/122182

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