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Ethyl iodide is a well known H atom precursor in shock tube experiments. In the present work, we study peculiarities, when C 2 H 5 I 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 C 2 H 5 I pyrolysis as a H atom source down to temperatures between 950 and 1200 K at pressures ranging from 1 to 4 bar: C 2 H 5 I→C 2 H 5  + I (1),  k  1  = 9.9 × 10 12  exp(−23200 K/ T ) s −1 ; C 2 H 5  + M→C  2 H 4  + H + M (2),  k  2  = 1.7 × 10 −6  exp(−16800 K T ) cm 3  s −1  [D. L. Baulch  et al ., J. Phys. Chem. Ref. Data  34  (2005) 757]; C 2 H 5 I→C 2 H 4  + HI (3),  k  3  = 1.7 × 10 13  exp(−26680 K T ) s −1 ; H + HI→H 2  + I (4),  k  4  = 7.9 × 10 −11  exp(−330 K T ) cm 3  s −1  [D. L. Baulch  et al. , J. Phys. Chem. Ref. Data  10 (Suppl. 1) (1981) 1]; C 2 H 5 I + H→C 2 H 5  + HI (5),  k  5  = 7.0 × 10 −9  exp(−3940 K T ) cm 3  s −1 . The latter bimolecular abstraction step turned out crucial for an adaquate d  escription of the hydrogen atom concentration-time profiles in the above mentioned temperature and pressure range for initial concentrations [C 2 H 5 I] 0  &gt; 2 × 10 13  cm −3  corresponding to mole fractions &gt; 1 ppm.

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