Cargando…

Theoretical Study on the Gas-Phase and Aqueous Interface Reaction Mechanism of Criegee Intermediates with 2-Methylglyceric Acid and the Nucleation of Products

Criegee intermediates (CIs) are important in the sink of many atmospheric substances, including alcohols, organic acids, amines, etc. In this work, the density functional theory (DFT) method was used to calculate the energy barriers for the reactions of CH(3)CHOO with 2-methyl glyceric acid (MGA) an...

Descripción completa

Detalles Bibliográficos
Autores principales:	Li, Lei, Zhang, Qingzhu, Wei, Yuanyuan, Wang, Qiao, Wang, Wenxing
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10049390/ https://www.ncbi.nlm.nih.gov/pubmed/36982477 http://dx.doi.org/10.3390/ijms24065400

Ejemplares similares

Theoretical Study on the Gas Phase and Gas–Liquid Interface Reaction Mechanism of Criegee Intermediates with Glycolic Acid Sulfate
por: Li, Lei, et al.
Publicado: (2023)

Direct gas-phase formation of formic acid through reaction of Criegee intermediates with formaldehyde
por: Luo, Pei-Ling, et al.
Publicado: (2023)

Criegee intermediate-hydrogen sulfide chemistry at the air/water interface
por: Kumar, Manoj, et al.
Publicado: (2017)

Theoretical Insight into the Reaction Mechanism and Kinetics for the Criegee Intermediate of anti-PhCHOO with SO(2)
por: Du, Benni, et al.
Publicado: (2020)

Observation of the simplest Criegee intermediate CH(2)OO in the gas-phase ozonolysis of ethylene
por: Womack, Caroline C., et al.
Publicado: (2015)

Temperature‐Dependence of the Rates of Reaction of Trifluoroacetic Acid with Criegee Intermediates
por: Chhantyal‐Pun, Rabi, et al.
Publicado: (2017)

The influences of ammonia on aerosol formation in the ozonolysis of styrene: roles of Criegee intermediate reactions
por: Ma, Qiao, et al.
Publicado: (2018)

Open questions on the reactivity of Criegee intermediates
por: Caravan, Rebecca L., et al.
Publicado: (2021)

Rapid unimolecular reaction of stabilized Criegee intermediates and implications for atmospheric chemistry
por: Long, Bo, et al.
Publicado: (2019)

Hydration and Secondary Ozonide of the Criegee Intermediate of Sabinene
por: Almatarneh, Mansour H., et al.
Publicado: (2018)

Criegee Intermediates Beyond Ozonolysis: Synthetic and Mechanistic Insights
por: Hassan, Zahid, et al.
Publicado: (2021)

Reaction of Stabilized Criegee Intermediates from Ozonolysis of Limonene with Water: Ab Initio and DFT Study
por: Jiang, Lei, et al.
Publicado: (2013)

Characterization and Quantification of Particle-Bound Criegee Intermediates in Secondary Organic Aerosol
por: Campbell, Steven J., et al.
Publicado: (2022)

Detection and identification of Criegee intermediates from the ozonolysis of biogenic and anthropogenic VOCs: comparison between experimental measurements and theoretical calculations
por: Giorio, Chiara, et al.
Publicado: (2017)

A five-carbon unsaturated Criegee intermediate: synthesis, spectroscopic identification, and theoretical study of 3-penten-2-one oxide
por: Roy, Tarun Kumar, et al.
Publicado: (2023)

Theoretical Mechanistic and Kinetic Studies on Homogeneous Gas-Phase Formation of Polychlorinated Naphthalene from 2-Chlorophenol as Forerunner
por: Xu, Fei, et al.
Publicado: (2015)

Functionalized Hydroperoxide Formation from the Reaction of Methacrolein-Oxide, an Isoprene-Derived Criegee Intermediate, with Formic Acid: Experiment and Theory
por: Vansco, Michael F., et al.
Publicado: (2021)

Liquid Metastable Precursors of Ibuprofen as Aqueous Nucleation Intermediates
por: Wiedenbeck, Eduard, et al.
Publicado: (2019)

Infrared characterization of formation and resonance stabilization of the Criegee intermediate methyl vinyl ketone oxide
por: Chung, Chen-An, et al.
Publicado: (2021)

Infrared identification of the Criegee intermediates syn- and anti-CH(3)CHOO, and their distinct conformation-dependent reactivity
por: Lin, Hui-Yu, et al.
Publicado: (2015)

Measurement–model comparison of stabilized Criegee intermediate and highly oxygenated molecule production in the CLOUD chamber
por: Sarnela, Nina, et al.
Publicado: (2018)

Unimolecular decomposition rates of a methyl-substituted Criegee intermediate syn-CH(3)CHOO
por: Li, Yu-Lin, et al.
Publicado: (2020)

Surprisingly long lifetime of methacrolein oxide, an isoprene derived Criegee intermediate, under humid conditions
por: Lin, Yen-Hsiu, et al.
Publicado: (2021)

Mechanistic and Kinetic Approach on the Propargyl Radical (C(3)H(3)) with the Criegee Intermediate (CH(2)OO)
por: Pham, Tien V., et al.
Publicado: (2023)

Rate Coefficients of C1 and C2 Criegee Intermediate Reactions with Formic and Acetic Acid Near the Collision Limit: Direct Kinetics Measurements and Atmospheric Implications**
por: Welz, Oliver, et al.
Publicado: (2014)

An Estimation of the Levels of Stabilized Criegee Intermediates in the UK Urban and Rural Atmosphere Using the Steady‐State Approximation and the Potential Effects of These Intermediates on Tropospheric Oxidation Cycles
por: H. Khan, M. Anwar, et al.
Publicado: (2017)

The homogeneous gas-phase formation mechanisms of PCPTs/PCDTs/PCDFs from the radical/radical cross-condensation of 2-CPR and 2-CTPR: a theoretical, mechanistic and kinetics study
por: Li, Ying, et al.
Publicado: (2021)

Ion correlations drive charge overscreening and heterogeneous nucleation at solid–aqueous electrolyte interfaces
por: Lee, Sang Soo, et al.
Publicado: (2021)

Nucleation as a rate-determining step in catalytic gas generation reactions from liquid phase systems
por: Solymosi, Thomas, et al.
Publicado: (2022)

Dynamical law of the phase interface motion in the presence of crystals nucleation
por: Toropova, Liubov V., et al.
Publicado: (2022)

Theoretical Insights into the Dynamics of Gas-Phase Bimolecular Reactions with Submerged Barriers
por: Song, Hongwei, et al.
Publicado: (2023)

Unimolecular Kinetics of Stabilized CH(3)CHOO Criegee Intermediates: syn-CH(3)CHOO Decomposition and anti-CH(3)CHOO Isomerization
por: Robinson, Callum, et al.
Publicado: (2022)

A theoretical study of the gas-phase reactions of propadiene with NO(3): mechanism, kinetics and insights
por: Wang, Haomin, et al.
Publicado: (2023)

Nonisothermal nucleation in the gas phase is driven by cool subcritical clusters
por: Tikkanen, Valtteri, et al.
Publicado: (2022)

Theoretical Study of the Kinetics of the Gas-Phase Reaction between Phenyl and Amino Radicals
por: Pham, Tien V., et al.
Publicado: (2020)

Synthesis of unstrained Criegee intermediates: inverse α-effect and other protective stereoelectronic forces can stop Baeyer–Villiger rearrangement of γ-hydroperoxy-γ-peroxylactones
por: Vil', Vera A., et al.
Publicado: (2020)

Condensation and Crystal Nucleation in a Lattice Gas with a Realistic Phase Diagram
por: Prestipino, Santi, et al.
Publicado: (2022)

Effect of Planar Interfaces on Nucleation in Melting and Crystallization
por: Schmelzer, Jürn W. P., et al.
Publicado: (2022)

Nucleation of cadherin clusters on cell-cell interfaces
por: Ibata, Neil, et al.
Publicado: (2022)

Theoretical Calculation on the Reaction Mechanisms, Kinetics and Toxicity of Acetaminophen Degradation Initiated by Hydroxyl and Sulfate Radicals in the Aqueous Phase
por: Xu, Mengmeng, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_epoennc113c8vqch8hbq070t4h