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Rate coefficients for the reactions of hydrogen atoms with 1‐bromopropane, 2‐bromopropane, 1‐bromobutane, and 2‐bromobutane
Author(s) -
Meinike T.,
Engelmann L.,
Olzmann M.,
Scherzer K.
Publication year - 1998
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/(sici)1097-4601(1998)30:10<721::aid-kin4>3.0.co;2-x
Subject(s) - chemistry , hydrogen , ionization , analytical chemistry (journal) , hydrogen atom abstraction , electron ionization , computational chemistry , organic chemistry , ion
The rate coefficients for the reactions of hydrogen atoms with n ‐C 3 H 7 Br, s ‐C 3 H 7 Br, n ‐C 4 H 9 Br, and s ‐C 4 H 9 Br were determined in a discharge flow‐reactor at 298 K and a pressure of 4 mbar. Molecular‐beam sampling and subsequent mass‐spectrometric detection with electron‐impact ionisation was used for the measurement of the bromo‐hydrocarbon concentration. The rate coefficients obtained are (in 10 10 cm 3 mol −1 s −1 ): 2.3±1.2 for n ‐C 3 H 7 Br, 2.3±1.2 for s ‐C 3 H 7 Br, 2.4±1.2 for n ‐C 4 H 9 Br, and 2.8±1.4 for s ‐C 4 H 9 Br. The results are compared with predictions from bond‐energy bond‐order (BEBO) calculations, where a reasonable agreement is found. Furthermore, also by BEBO calculations, the relative importance of bromine abstraction as compared to hydrogen abstraction is estimated. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet: 30: 721–727, 1998