Hyperthermal reactions of O(3P) with alkanes

Observations of novel reaction pathways in crossed-beams and theoretical studies

Donna J. Garton, Timothy K. Minton, Diego Troya, Ronald Pascual, George C Schatz

Research output: Contribution to journalArticle

63 Citations (Scopus)

Abstract

The reactions of O(3P) with CH4, CH3CH3, and CH3CH2CH3 at center-of-mass collision energies in the range of 2.8-3.9 eV have been investigated with crossed-beams experiments and with direct dynamics calculations. The experiments and calculations both provide evidence for previously unobserved reaction pathways which principally lead to O-atom addition and subsequent H-atom elimination or C-C bond breakage: O(3P) + RH → RO + H or R′O + R″. In addition, the expected H-atom abstraction reaction to form OH has been observed. The H-atom abstraction reactions have modest barriers in the range ∼0.1-0.3 eV, whereas the addition pathways have barriers greater than ∼1.8 eV. Nevertheless, theory predicts that abstraction and addition reactions occur with similar probabilities at the collision energies of these studies. Although high barriers prevent the addition reactions from occurring in most thermal environments, such reactions might be important in low-Earth orbit, where spacecraft surfaces and exhaust gases suffer high-energy collisions with ambient atomic oxygen.

Original languageEnglish
Pages (from-to)4583-4587
Number of pages5
JournalJournal of Physical Chemistry A
Volume107
Issue number23
DOIs
Publication statusPublished - Jun 12 2003

Fingerprint

Alkanes
alkanes
Atoms
Addition reactions
Exhaust gases
collisions
atoms
Spacecraft
Orbits
Earth (planet)
Experiments
thermal environments
Oxygen
exhaust gases
low Earth orbits
center of mass
energy
elimination
spacecraft
oxygen

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Hyperthermal reactions of O(3P) with alkanes : Observations of novel reaction pathways in crossed-beams and theoretical studies. / Garton, Donna J.; Minton, Timothy K.; Troya, Diego; Pascual, Ronald; Schatz, George C.

In: Journal of Physical Chemistry A, Vol. 107, No. 23, 12.06.2003, p. 4583-4587.

Research output: Contribution to journalArticle

Garton, Donna J. ; Minton, Timothy K. ; Troya, Diego ; Pascual, Ronald ; Schatz, George C. / Hyperthermal reactions of O(3P) with alkanes : Observations of novel reaction pathways in crossed-beams and theoretical studies. In: Journal of Physical Chemistry A. 2003 ; Vol. 107, No. 23. pp. 4583-4587.
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