Hydrotrioxide (ROOOH) formation in the atmosphere
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Hydrotrioxide (ROOOH) formation in the atmosphere. / Berndt, Torsten; Chen, Jing; Kjaergaard, Eva R.; Moller, Kristian H.; Tilgner, Andreas; Hoffmann, Erik H.; Herrmann, Hartmut; Crounse, John D.; Wennberg, Paul O.; Kjaergaard, Henrik G.
I: Science, Bind 376, Nr. 6596, 27.05.2022, s. 979-982.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Hydrotrioxide (ROOOH) formation in the atmosphere
AU - Berndt, Torsten
AU - Chen, Jing
AU - Kjaergaard, Eva R.
AU - Moller, Kristian H.
AU - Tilgner, Andreas
AU - Hoffmann, Erik H.
AU - Herrmann, Hartmut
AU - Crounse, John D.
AU - Wennberg, Paul O.
AU - Kjaergaard, Henrik G.
PY - 2022/5/27
Y1 - 2022/5/27
N2 - Organic hydrotrioxides (ROOOH) are known to be strong oxidants used in organic synthesis. Previously, it has been speculated that they are formed in the atmosphere through the gas-phase reaction of organic peroxy radicals (RO2) with hydroxyl radicals (OH). Here, we report direct observation of ROOOH formation from several atmospherically relevant RO2 radicals. Kinetic analysis confirmed rapid RO2 + OH reactions forming ROOOH, with rate coefficients close to the collision limit. For the OH-initiated degradation of isoprene, global modeling predicts molar hydrotrioxide formation yields of up to 1%, which represents an annual ROOOH formation of about 10 million metric tons. The atmospheric lifetime of ROOOH is estimated to be minutes to hours. Hydrotrioxides represent a previously omitted substance class in the atmosphere, the impact of which needs to be examined.
AB - Organic hydrotrioxides (ROOOH) are known to be strong oxidants used in organic synthesis. Previously, it has been speculated that they are formed in the atmosphere through the gas-phase reaction of organic peroxy radicals (RO2) with hydroxyl radicals (OH). Here, we report direct observation of ROOOH formation from several atmospherically relevant RO2 radicals. Kinetic analysis confirmed rapid RO2 + OH reactions forming ROOOH, with rate coefficients close to the collision limit. For the OH-initiated degradation of isoprene, global modeling predicts molar hydrotrioxide formation yields of up to 1%, which represents an annual ROOOH formation of about 10 million metric tons. The atmospheric lifetime of ROOOH is estimated to be minutes to hours. Hydrotrioxides represent a previously omitted substance class in the atmosphere, the impact of which needs to be examined.
KW - KINETIC-DATA EVALUATION
KW - C-H BONDS
KW - IUPAC SUBCOMMITTEE
KW - RATE CONSTANTS
KW - OH
KW - CHEMISTRY
KW - RADICALS
KW - MODEL
KW - MECHANISM
KW - OXIDATION
U2 - 10.1126/science.abn6012
DO - 10.1126/science.abn6012
M3 - Journal article
C2 - 35617402
VL - 376
SP - 979
EP - 982
JO - Science
JF - Science
SN - 0036-8075
IS - 6596
ER -
ID: 312484409