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Dynamics of Inelastic and Reactive Collisions of O(P) with NO.

作者信息

Caracciolo Adriana, Zhang Jianming, Lahankar Sridhar A, Minton Timothy K

机构信息

Ann and H. J. Smead Department of Aerospace Engineering Sciences, University of Colorado, Boulder, Colorado 80303, United States.

Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana 59717, United States.

出版信息

J Phys Chem A. 2022 Apr 7;126(13):2091-2102. doi: 10.1021/acs.jpca.1c09778. Epub 2022 Mar 24.

DOI:10.1021/acs.jpca.1c09778
PMID:35324196
Abstract

The dynamics of O(P) + NO collisions were investigated at a collision energy of ⟨⟩ = 84.0 kcal mol with the use of a crossed molecular beams apparatus employing a rotatable mass spectrometer detector. This experiment was performed with beams of O atoms and isotopically labeled NO molecules to enable the products of reactive and inelastic scattering to be distinguished. Three scattering pathways were observed: inelastic scattering (O + NO), O-atom exchange (O + NO), and O-atom abstraction (OO + N). All product channels exhibited a preponderance of forward scattering, but scattering over a broad angular range was also observed for all products. For inelastic scattering, an average of 90% of the collision energy is retained in the translation of O and NO. On the other hand, for O-atom exchange (which also leads to O + NO products), the collision energy is partitioned roughly evenly between the translation of O + NO and the internal excitation of NO. The available energy for O-atom abstraction is significantly lower than the collision energy because of the endoergicity of this reaction, but the available energy is again roughly evenly partitioned between the translation of OO + N and the internal excitation of the molecular (O) product. The relative yields of the three scattering pathways were determined to be 0.751 for inelastic scattering, 0.220 for O-atom exchange, and 0.029 for O-atom abstraction.

摘要

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