Unimolecular decay of Criegee intermediates to OH radical products: prompt and thermal decay processes

MI Lester, SJ Klippenstein - Accounts of Chemical Research, 2018 - ACS Publications
Conspectus Alkene ozonolysis is a primary oxidation pathway for anthropogenic and
biogenic alkenes emitted into the troposphere. It is also an important source of atmospheric …

Structure-dependent reactivity of Criegee intermediates studied with spectroscopic methods

W Chao - Chemical Society Reviews, 2017 - pubs.rsc.org
Criegee intermediates are very reactive carbonyl oxides that are formed in reactions of
unsaturated hydrocarbons with ozone (ozonolysis). Recently, Criegee intermediates have …

Evaluated kinetic and photochemical data for atmospheric chemistry: Volume VII–Criegee intermediates

RA Cox, M Ammann, JN Crowley… - Atmospheric …, 2020 - acp.copernicus.org
This article, the seventh in the series, presents kinetic and photochemical data sheets
evaluated by the IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation. It …

Four-carbon Criegee intermediate from isoprene ozonolysis: Methyl vinyl ketone oxide synthesis, infrared spectrum, and OH production

VP Barber, S Pandit, AM Green… - Journal of the …, 2018 - ACS Publications
The reaction of ozone with isoprene, one of the most abundant volatile organic compounds
in the atmosphere, produces three distinct carbonyl oxide species (RR′ COO) known as …

Perspective: Ring-polymer instanton theory

JO Richardson - The Journal of chemical physics, 2018 - pubs.aip.org
Since the earliest explorations of quantum mechanics, it has been a topic of great interest
that quantum tunneling allows particles to penetrate classically insurmountable barriers …

Unimolecular decay dynamics of Criegee intermediates: Energy-resolved rates, thermal rates, and their atmospheric impact

TA Stephenson, MI Lester - International Reviews in Physical …, 2020 - Taylor & Francis
Criegee intermediates are reactive species formed in the ozonolysis of alkenes. Their
subsequent chemistry is critical to an accounting of OH production, aerosol formation, and …

Surprisingly long lifetime of methacrolein oxide, an isoprene derived Criegee intermediate, under humid conditions

YH Lin, C Yin, K Takahashi, JJM Lin - Communications Chemistry, 2021 - nature.com
Ozonolysis of isoprene, the most abundant alkene, produces three distinct Criegee
intermediates (CIs): CH2OO, methyl vinyl ketone oxide (MVKO) and methacrolein oxide …

Kinetics of the Simplest Criegee Intermediate Reaction with Water Vapor: Revisit and Isotope Effect

YJ Wu, K Takahashi, JJM Lin - The Journal of Physical Chemistry …, 2023 - ACS Publications
The kinetics of the simplest Criegee intermediate (CH2OO) reaction with water vapor was
revisited. By improving the signal-to-noise ratio and the precision of water concentration, we …

Temperature-dependent kinetics of the atmospheric reaction between CH 2 OO and acetone

PB Wang, DG Truhlar, Y **a, B Long - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
Criegee intermediates are important oxidants produced in the ozonolysis of alkenes in the
atmosphere. Quantitative kinetics of the reactions of Criegee intermediates are required for …

[HTML][HTML] Perturbatively corrected ring-polymer instanton theory for accurate tunneling splittings

JE Lawrence, J Dušek, JO Richardson - The Journal of Chemical …, 2023 - pubs.aip.org
We introduce an approach for calculating perturbative corrections to the ring-polymer
instanton approximation to tunneling splittings (RPI+ PC) by computing higher-order terms in …