Iodopropane; Kinetic energy release; Maximum entropy method; Phase space sampling; Statistical theory
Abstract :
[en] The kinetic energy distribution (KERD) determined by Brand et al. [Chem. Phys. 76 (1983) 111] for the iodine loss from energy-selected iodopropane ions has been analyzed by the maximum entropy method. The entropy deficiency DS has been determined and the value of e(-DS), which measures the efficiency of phase-space sampling, has been found equal to about 96%, thus corresponding to a nearly fully statistical situation. The phase space theory of Klots describes a slightly more constrained situation with e(-DS) ≃ 77%. A rapid determination of the sampled fraction of phase space is possible from energy-selected KERDs, based on the fact that there exists a direct relationship between the efficiency e(-DS) and the reduced maximum of the KERD ε(red)/(M) = ε(M) (E)/<ε>(E). The product ε(M)(E) P(ε(M)/E) or ε(red)/(M) P(ε(red)/(M)) holds the same property. (C) 2000 Elsevier Science B.V.
Disciplines :
Chemistry
Author, co-author :
Lorquet, Jean-Claude ; Université de Liège > Relations académiques et scientifiques (Sciences)
Language :
English
Title :
Unimolecular reaction dynamics from kinetic energy release distributions. VI. Energy-selected ions
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