Kinetic energy release; Metastable dissociation; Maximum entropy method; Energy partitioning; Phase space sampling
Abstract :
[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.
Research center :
Laboratoire de Dynamique Moléculaire
Disciplines :
Chemistry
Author, co-author :
Urbain, P.
Remacle, Françoise ; Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de chimie physique théorique
Leyh, Bernard ; Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de dynamique moléculaire
Lorquet, Jean-Claude ; Université de Liège - ULiège > Services généraux (Faculté des sciences) > Relations académiques et scientifiques (Sciences)
Language :
English
Title :
Unimolecular Reaction Dynamics from Kinetic Energy Release Distributions. 2. A Study of the Reaction C6H5Br+->C6H5++Br by the Maximum Entropy Method.
Publication date :
1996
Journal title :
Journal of Physical Chemistry
ISSN :
0022-3654
eISSN :
1541-5740
Publisher :
American Chemical Society, Washington, United States - District of Columbia
Volume :
100
Issue :
19
Pages :
8003-8007
Peer reviewed :
Peer Reviewed verified by ORBi
Funders :
FRFC - Fonds de la Recherche Fondamentale Collective [BE]