Hydrogen Atom Attack on Propene


Claudette M. Rosado-Reyes, Jeffrey A. Manion, and Wing Tsang

Chemical and Biochemical Reference Data Division(832),

NIST Gaithersburg, MD 20899.


The reaction of propene(CH3CH=CH2) with hydrogen atoms has been investigated in a heated single-pulsed shock tube at temperature of 925-1078K and pressures of 2-3 bar. Stable products from various reaction channels (H atom addition and by inference H abstraction) have been identified and quantified by gas chromatography and mass spectrometry. The reaction for the H addition channel involving methyl displacement from propene has been determined relative to the methyl displacement from 1,3,5-trimethylbenzene (1,3,5-TMB), with k (1,3,5-TMB + H m-Xylene + CH3) = 6.7 ´ 1013 exp(-3255/T) cm3/mole·sec,

k (Propene + H H2C=CH2 + CH3) = 3.0 ´ 1013 exp(-1709/T) cm3/mole·sec; (925-1078K)

The reaction of Propene + H has also been studied relative to the previously studied reaction of Propyne + H,




The results showed that the rate constant for the displacement reaction with propyne is a factor of 1.2 ± 0.1 larger than that for propene.

            The present is compared with relevant previous results on aromatics and olefins.









CATEGORY: Chemistry



Mentors Name: Wing Tsang

Chemical and Biochemical Reference Data Division, CSTL

 A167, 221/832

Tel: 301-975-2559

Fax: 301-869-4020

Email: claudette.rosado-reyes@nist.gov, wing.tsang@nist.gov


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