% IMPORTANT: The following is UTF-8 encoded. This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.
@ARTICLE{Assaf:857260,
author = {Assaf, Emmanuel and Schoemaecker, Coralie and Vereecken,
Luc and Fittschen, Christa},
title = {{T}he reaction of fluorine atoms with methanol: yield of
{CH} 3 {O}/{CH} 2 {OH} and rate constant of the reactions
{CH} 3 {O} + {CH} 3 {O} and {CH} 3 {O} + {HO} 2},
journal = {Physical chemistry, chemical physics},
volume = {20},
number = {16},
issn = {1463-9084},
address = {Cambridge},
publisher = {RSC Publ.66479},
reportid = {FZJ-2018-06489},
pages = {10660 - 10670},
year = {2018},
abstract = {Xenondifluoride, XeF2, has been photolysed in the presence
of methanol, CH3OH. Two reaction pathways are possible: F +
CH3OH → CH2OH + HF and F + CH3OH → CH3O + HF. Both
products, CH2OH and CH3O, will be converted to HO2 in the
presence of O2. The rate constants for the reaction of both
radicals with O2 differ by more than 3 orders of magnitude,
which allows an unequivocal distinction between the two
reactions when measuring HO2 concentrations in the presence
of different O2 concentrations. The following yields have
then been determined from time-resolved HO2 profiles:
ϕCH2OH = (0.497 ± 0.013) and ϕCH3O = (0.503 ± 0.013).
Experiments under low O2 concentrations lead to reaction
mixtures containing nearly equal amounts of HO2 (converted
from the first reaction) and CH3O (from the second
reaction). The subsequent HO2 decays are very sensitive to
the rate constants of the reaction between these two
radicals and the following rate constants have been
obtained: k(CH3O + CH3O) = (7.0 ± 1.4) × 10−11 cm3 s−1
and k(CH3O + HO2) = (1.1 ± 0.2) × 10−10 cm3 s−1. The
latter reaction has also been theoretically investigated on
the CCSD(T)//M06-2X/aug-cc-pVTZ level of theory and CH3OH +
O2 have been identified as the main products. Using μVTST,
a virtually pressure independent rate constant of k(CH3O +
HO2) = 4.7 × 10−11 cm3 s−1 has been obtained, in good
agreement with the experiment.},
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 = {pmid:29139501},
UT = {WOS:000431821800008},
doi = {10.1039/C7CP05770A},
url = {https://juser.fz-juelich.de/record/857260},
}