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@ARTICLE{Ocaa:865031,
author = {Ocaña, Antonio J. and Blázquez, Sergio and Potapov,
Alexey and Ballesteros, Bernabé and Canosa, André and
Antiñolo, María and Vereecken, Luc and Albaladejo, José
and Jiménez, Elena},
title = {{G}as-phase reactivity of {CH}3{OH} toward {OH} at
interstellar temperatures (11.7–177.5 {K}): experimental
and theoretical study},
journal = {Physical chemistry, chemical physics},
volume = {21},
number = {13},
issn = {1463-9084},
address = {Cambridge},
publisher = {RSC Publ.},
reportid = {FZJ-2019-04596},
pages = {6942 - 6957},
year = {2019},
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.},
cin = {IEK-8},
ddc = {540},
cid = {I:(DE-Juel1)IEK-8-20101013},
pnm = {243 - Tropospheric trace substances and their
transformation processes (POF3-243)},
pid = {G:(DE-HGF)POF3-243},
typ = {PUB:(DE-HGF)16},
pubmed = {30868151},
UT = {WOS:000464323400014},
doi = {10.1039/C9CP00439D},
url = {https://juser.fz-juelich.de/record/865031},
}