Unimolecular reaction dynamics from kinetic energy release distributions. VI. Energy-selected ions

Lorquet, Jean-Claude

doi:10.1016/S1387-3806(00)00219-0

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Unimolecular reaction dynamics from kinetic energy release distributions. VI. Energy-selected ions

Lorquet, Jean-Claude

2000 • In International Journal of Mass Spectrometry, 201 (1-3), p. 59-67

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https://hdl.handle.net/2268/185319

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10.1016/S1387-3806(00)00219-0

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Keywords :

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

Publication date :

2000

Journal title :

International Journal of Mass Spectrometry

ISSN :

1387-3806

Publisher :

Elsevier, Netherlands

Volume :

201

Issue :

1-3

Pages :

59-67

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 27 August 2015

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