Journal Article

FZJ-2019-04596

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Gas-phase reactivity of CH3OH toward OH at interstellar temperatures (11.7–177.5 K): experimental and theoretical study

Ocaña, A. J. ; Blázquez, S. ; Potapov, A. ; Ballesteros, B. ; Canosa, A. ; Antiñolo, M. ; Vereecken, L. (Corresponding author)FZJ* ; Albaladejo, J. ; Jiménez, E. (Corresponding author)

2019
RSC Publ. Cambridge

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Please use a persistent id in citations: doi:10.1039/C9CP00439D

Abstract: The reactivity of methanol (CH3OH) toward the hydroxyl (OH) radical was investigated in the temperaturerange 11.7–177.5 K using the CRESU (French acronym for Reaction Kinetics in a Uniform Supersonic Flow)technique. In the present study, the temperature dependence of the rate coefficient for the OH + CH3OHreaction, k(T), has been revisited and additional experimental and computational data are reported. Newkinetic measurements were performed to fill the existing gaps (<22 K, 22–42 K and 88–123 K), reportingk(T < 20 K) for the first time. The lowest temperature ever achieved by a pulsed CRESU has beenobtained in this work (11.7 K). k(T) abruptly increases by almost 2 orders of magnitude from 177.5 K toaround 100 K. At T < 100 K, this increase is less pronounced, reaching the capture limit at temperaturesbelow 22 K. The pressure dependence of k(T) has been investigated for selected temperatures and gasdensities (1.5x10^16 to 4.3x10^17 cm3), combining our results with those previously reported. Nodependence was observed within the experimental uncertainties below 110 K. The high- and low-pressurerate coefficients, kHPL(T) and kLPL(T), were also studied in detail using high-level quantumchemical and theoretical kinetic methodologies, closely reproducing the experimental data between 20and 400 K. The results suggest that the experimental data are near the high pressure limit at the lowesttemperatures, but that the reaction remains a fast and effective source of CH2OH and CH3O at the lowpressures and temperatures prevalent in the interstellar medium.

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Contributing Institute(s):

1. Troposphäre (IEK-8)

Research Program(s):

1. 243 - Tropospheric trace substances and their transformation processes (POF3-243) (POF3-243)

Appears in the scientific report 2021

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Database coverage:
; Allianz-Lizenz / DFG ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; NCBI Molecular Biology Database ; National-Konsortium ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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