Product Detection of the CH Radical Reactions with Ammonia and Methyl-Substituted Amines

Bourgalais, Jeremy; Caster, Kacee L.; Durif, Olivier; Osborn, David L.; Le Picard, Sebastien D.; Goulay, Fabien

doi:10.1021/acs.jpca.8b11688

Product Detection of the CH Radical Reactions with Ammonia and Methyl-Substituted Amines

Journal Article · Sun Feb 24 23:00:00 EST 2019 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.8b11688· OSTI ID:1595812

Bourgalais, Jeremy ^[1]; Caster, Kacee L. ^[2]; Durif, Olivier ^[3]; Osborn, David L. ^[4]; Le Picard, Sebastien D. ^[3]; ^[2]

Univ. Paris-Saclay, Sorbonne Univ., Guyancourt (France)
West Virginia Univ., Morgantown, WV (United States)
Univ. Rennes (France). Institut de Physique de Rennes (IPR), Astrophysique de Lab.
Sandia National Lab. (SNL-CA), Livermore, CA (United States)

In this work, reactions of the methylidyne (CH) radical with ammonia (NH₃), methylamine (CH₃NH₂), dimethylamine ((CH₃)₂NH), and trimethylamine ((CH₃)₃N) have been investigated under multiple collision conditions at 373 K and 4 Torr. The reaction products are detected by using soft photoionization coupled to orthogonal acceleration time-of-flight mass spectrometry at the Advanced Light Source (ALS) synchrotron. Kinetic traces are employed to discriminate between CH reaction products and products from secondary or slower reactions. Branching ratios for isomers produced at a given mass and formed by a single reaction are obtained by fitting the observed photoionization spectra to linear combinations of pure compound spectra. The reaction of the CH radical with ammonia is found to form mainly imine, HN$$=$$CH₂, in line with an addition–elimination mechanism. The singly methyl-substituted imine is detected for the CH reactions with methylamine, dimethylamine, and trimethylamine. Dimethylimine isomers are formed by the reaction of CH with dimethylamine, while trimethylimine is formed by the CH reaction with trimethylamine. Overall, the temporal profiles of the products are not consistent with the formation of aminocarbene products in the reaction flow tube. In the case of the reactions with methylamine and dimethylamine, product formation is assigned to an addition–elimination mechanism similar to that proposed for the CH reaction with ammonia. However, this mechanism cannot explain the products detected by the reaction with trimethylamine. A C—H insertion pathway may become more probable as the number of methyl groups increases.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); Agence nationale de la recherché (ANR); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division

Grant/Contract Number:: AC04-94AL85000; NA0003525; AC02-05CH11231

OSTI ID:: 1595812

Report Number(s):: SAND--2020-0683J; 683006

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 11 Vol. 123; ISSN 1089-5639

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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