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Reaction of OH radicals with CHNH in the gas phase: experimental (11.7-177.5 K) and computed rate coefficients (10-1000 K). | LitMetric

Reaction of OH radicals with CHNH in the gas phase: experimental (11.7-177.5 K) and computed rate coefficients (10-1000 K).

Phys Chem Chem Phys

Departamento de Química Física, Facultad de Ciencias y Tecnologías Químicas, Universidad de Castilla-La Mancha, Avda. Camilo José Cela 1b, 13071, Ciudad Real, Spain.

Published: October 2022

Nitrogen-bearing molecules, like methylamine (CHNH), can be the building blocks of amino acids in the interstellar medium (ISM). At the ultralow temperatures of the ISM, it is important to know its gas-phase reactivity towards interstellar radicals and the products formed. In this work, the kinetics of the OH + CHNH reaction was experimentally and theoretically investigated at low- and high-pressure limits (LPL and HPL) between 10 and 1000 K. Moreover, the CHNH and CHNH yields were computed in the same temperature range for both pressure regimes. A pulsed CRESU (French acronym for Reaction Kinetics in a Uniform Supersonic Flow) apparatus was employed to determine the rate coefficient, (), in the 11.7-177.5 K range. A drastic increase of () when the temperature is lowered was observed in agreement with theoretical calculations, evaluated by the competitive canonical unified statistical (CCUS) theory, below 300 K in the LPL regime. The same trend was observed in the HPL regime below 350 K, but the theoretical () values were higher than the experimental ones. Above 200 K, the calculated rate coefficients are improved with respect to previous computational studies and are in excellent agreement with the experimental literature data. In the LPL, the formation of CHNH becomes largely dominant below 100 K. Conversely, in the HPL regime, CHNH is the only product below 100 K, whereas CHNH becomes dominant at 298 K with a branching ratio similar to the one found in the LPL regime (≈70%). At > 300 K, both reaction channels are competitive independently of the pressure regime.

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Source
http://dx.doi.org/10.1039/d2cp03414jDOI Listing

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