OH roaming and beyond in the unimolecular decay of the methyl-ethyl-substituted Criegee intermediate: observations and predictions
Alkene ozonolysis generates short-lived Criegee intermediates that are a significant source
of hydroxyl (OH) radicals. This study demonstrates that roaming of the separating OH …
of hydroxyl (OH) radicals. This study demonstrates that roaming of the separating OH …
Watching a hydroperoxyalkyl radical (• QOOH) dissociate
A prototypical hydroperoxyalkyl radical (• QOOH) intermediate, transiently formed in the
oxidation of volatile organic compounds, was directly observed through its infrared …
oxidation of volatile organic compounds, was directly observed through its infrared …
Systematically derived thermodynamic properties for alkane oxidation
Key combustion properties, such as ignition delay time, show strong sensitivity to the
thermochemistry of the main species in the standard radical oxidation pathway at low …
thermochemistry of the main species in the standard radical oxidation pathway at low …
Bimolecular Reaction of Methyl-Ethyl-Substituted Criegee Intermediate with SO2
Methyl-ethyl-substituted Criegee intermediate (MECI) is a four-carbon carbonyl oxide that is
formed in the ozonolysis of some asymmetric alkenes. MECI is structurally similar to the …
formed in the ozonolysis of some asymmetric alkenes. MECI is structurally similar to the …
Criegee intermediates meet rotational spectroscopy
C Cabezas, M Nakajima, Y Endo - International Reviews in …, 2020 - Taylor & Francis
Carbonyl oxides, R1R2COO, alternatively known as Criegee intermediates (CIs), are short-
lived molecules produced from ozonolysis of alkenes. These ozonolysis reactions yield …
lived molecules produced from ozonolysis of alkenes. These ozonolysis reactions yield …
Spiers memorial lecture: Theory of unimolecular reactions
SJ Klippenstein - Faraday Discussions, 2022 - pubs.rsc.org
One hundred years ago, at an earlier Faraday Discussion meeting, Lindemann presented a
mechanism that provides the foundation for contemplating the pressure dependence of …
mechanism that provides the foundation for contemplating the pressure dependence of …
Roaming in the Unimolecular Decay of syn-Methyl-Substituted Criegee Intermediates
Alkene ozonolysis generates transient carbonyl oxide species, known as Criegee
intermediates, which are a significant nonphotolytic source of OH radicals in the …
intermediates, which are a significant nonphotolytic source of OH radicals in the …
Rapid allylic 1, 6 H-atom transfer in an unsaturated Criegee intermediate
AS Hansen, Y Qian, CA Sojdak… - Journal of the …, 2022 - ACS Publications
A novel allylic 1, 6 hydrogen-atom-transfer mechanism is established through infrared
activation of the 2-butenal oxide Criegee intermediate, resulting in very rapid unimolecular …
activation of the 2-butenal oxide Criegee intermediate, resulting in very rapid unimolecular …
Substituent effects on the electronic spectroscopy of four-carbon Criegee intermediates
Atmospheric ozonolysis of biogenic and anthropogenic alkenes generates zwitterionic
carbonyl oxide intermediates (R1R2C═ O+ O–), known as Criegee intermediates, with …
carbonyl oxide intermediates (R1R2C═ O+ O–), known as Criegee intermediates, with …
Nonstatistical Unimolecular Decay of the CH2OO Criegee Intermediate in the Tunneling Regime
Y Qian, TL Nguyen, PR Franke… - The Journal of …, 2024 - ACS Publications
Unimolecular decay of the formaldehyde oxide (CH2OO) Criegee intermediate proceeds via
a 1, 3 ring-closure pathway to dioxirane and subsequent rearrangement and/or dissociation …
a 1, 3 ring-closure pathway to dioxirane and subsequent rearrangement and/or dissociation …