Home > Publications database > Gas-phase reactivity of CH3OH toward OH at interstellar temperatures (11.7–177.5 K): experimental and theoretical study > print

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005     20240712101053.0
024 7 _ |a 10.1039/C9CP00439D
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024 7 _ |a 1463-9084
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041 _ _ |a English
082 _ _ |a 540
100 1 _ |a Ocaña, Antonio J.
|0 0000-0002-0480-1855
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245 _ _ |a Gas-phase reactivity of CH3OH toward OH at interstellar temperatures (11.7–177.5 K): experimental and theoretical study
260 _ _ |a Cambridge
|c 2019
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520 _ _ |a 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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700 1 _ |a Blázquez, Sergio
|0 0000-0002-2523-6242
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700 1 _ |a Potapov, Alexey
|0 0000-0002-3699-7477
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700 1 _ |a Ballesteros, Bernabé
|0 0000-0003-4853-9956
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700 1 _ |a Canosa, André
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700 1 _ |a Antiñolo, María
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700 1 _ |a Vereecken, Luc
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700 1 _ |a Albaladejo, José
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700 1 _ |a Jiménez, Elena
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773 _ _ |a 10.1039/C9CP00439D
|g Vol. 21, no. 13, p. 6942 - 6957
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|p 6942 - 6957
|t Physical chemistry, chemical physics
|v 21
|y 2019
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