Pyrolysis of Ethyl Iodide as Hydrogen Atom Source: Kinetics and Mechanism in the Temperature Range 950-1200K

TitlePyrolysis of Ethyl Iodide as Hydrogen Atom Source: Kinetics and Mechanism in the Temperature Range 950-1200K
Publication TypeJournal Article
Year of Publication2011
AuthorsBentz T, Szori M, Viskolcz B, Olzmann M
JournalZeitschrift für Physikalische Chemie
Volume225
Pagination1117-1128
Type of ArticleArticle
Abstract

{Ethyl iodide is a well known H atom precursor in shock tube experiments. In the present work, we study peculiarities, when C2H5I is used under conditions, where its decomposition is not longer fast compared to consecutive bimolecular reactions. On the basis of shock tube experiments with detection of H and I atoms by resonance absorption spectrometry, accompanied by quantum chemical (CCSD(T)/6-311G//CCSD/6-311G) and statistical rate theory calculations, we propose a small mechanism (5 reactions, 7 species) and kinetic data, which allow an adequate description of C2H5I pyrolysis as a H atom source down to temperatures between 950 and 1200 K at pressures ranging from 1 to 4 bar: C2H5I→C2H5 + I (1)

DOI10.1524/zpch.2011.0178