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Reaction of the NO3 radical with some thiophenes: Kinetic study and a correlation between rate constant and EHOMO

✍ Scribed by B. Cabañas; M.T. Baeza; P. Martín; S. Salgado; F. Villanueva; E. Monedero; Y. Díaz De Mera

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
158 KB
Volume
38
Category
Article
ISSN
0538-8066

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✦ Synopsis

Abstract

The rate constants and activation energies for the reactions of some thiophenes with the NO~3~ radical were measured using the absolute fast‐flow discharge technique at 263–335 K and low pressure. The proposed Arrhenius expressions for 2‐ethylthiophene, 2‐propylthiophene, 2,5‐dimethylthiophene, and 2‐chlorothiophene are k = (4.2 ± 0.28) ×10^−16^ exp[(2280 ± 70)]/T, k = (7.0 ± 2) × 10^−18^ exp[(3530 ± 70)]/T, k = (1 ± 1) × 10^−14^ exp[(1648 ± 240)]/T, and k = (8 ± 2) × 10^−17^ exp[(2000 ± 200)]/T (k = cm^3^ molecule^−1^ s^−1^), respectively. The reactions of this radical with 2‐chlorothiophene and 3‐chlorothiophene were also studied by a relative method in a Teflon static reactor at room temperature and atmospheric pressure. The effect of substitution on thiophene reactivity is discussed, and a relationship between the rate constants and the ionization potential (IP = −E~HOMO~) has been proposed. © 2006 Wiley Periodicals, Inc. Int J Chem Kinet 38: 570–576, 2006

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