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Low Temperature Kinetics of the Reaction Between Methanol and the CN Radical
Author(s) -
Divita Gupta,
Sidaty Cheikh Sid Ely,
Ilsa R. Cooke,
Théo Guillaume,
Omar Abdelkader Khedaoui,
Thomas Hearne,
Brian M. Hays,
Ian Sims
Publication year - 2019
Publication title -
the journal of physical chemistry a
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.756
H-Index - 235
eISSN - 1520-5215
pISSN - 1089-5639
DOI - 10.1021/acs.jpca.9b08472
Subject(s) - kinetics , methanol , chemistry , chemical kinetics , photochemistry , organic chemistry , physics , quantum mechanics
Methanol (CH 3 OH) is considered by astronomers to be the simplest complex organic molecule (COM) and has been detected in various astrophysical environments, including protoplanetary disks, comets, and the interstellar medium (ISM). Studying the reactivity of methanol at low temperatures will aid our understanding of the formation of other complex and potentially prebiotic molecules. A major destruction route for many neutral COMs, including methanol, is via their reactions with radicals such as CN, which is ubiquitous in space. Here, we study the kinetics of the reaction between methanol and the CN radical using the well-established CRESU technique (a French acronym standing for Reaction Kinetics in Uniform Supersonic Flow) combined with Pulsed-Laser Photolysis-Laser-Induced Fluorescence (PLP-LIF). Electronic structure calculations were also performed to identify the exothermic channels through which this reaction can proceed. Our results for the rate coefficient are represented by the modified Arrhenius equation, k ( T ) = 1.26 × 10 -11 ( T /300 K) -0.7  exp(-5.4 K/ T ), and display a negative temperature dependence over the temperature range 16.7-296 K, which is typical of what has been seen previously for other radical-neutral reactions that do not possess potential energy barriers. The rate coefficients obtained at room temperature strongly disagree with a previous kinetics study, which is currently available in the Kinetics Database for Astrochemistry (KIDA) and therefore used in some astrochemical models.

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