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Title: Pathways to Highly Oxidized Products in the Δ3-Carene + OH System

Journal Article · · Environmental Science and Technology
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [2]; ORCiD logo [3];  [4];  [4];  [5]; ORCiD logo [5]; ORCiD logo [4];  [4]; ORCiD logo [3];  [6]; ORCiD logo [2]
  1. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States, Department of Chemistry, University of Helsinki, Helsinki FI-00014, Finland
  2. Department of Chemistry, University of Helsinki, Helsinki FI-00014, Finland, Institute for Atmospheric and Earth System Research (INAR), University of Helsinki, Helsinki FI-00014, Finland
  3. Department of Chemistry, University of Copenhagen, Copenhagen DK-2100, Denmark
  4. Atmospheric Sciences and Global Change Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States
  5. Department of Atmospheric Sciences, University of Washington, Seattle, Washington 98195, United States
  6. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States, Department of Atmospheric Sciences, University of Washington, Seattle, Washington 98195, United States

Not Available

Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
Academy of Finland; Independent Research Fund Denmark; National Science Foundation (NSF); USDOE; USDOE Office of Science (SC), Biological and Environmental Research (BER); University of Copenhagen
Grant/Contract Number:
AC05-76RL01830; SC0018221
OSTI ID:
1905925
Report Number(s):
PNNL-SA-178458
Journal Information:
Environmental Science and Technology, Journal Name: Environmental Science and Technology Journal Issue: 4 Vol. 56; ISSN 0013-936X
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (68)

Rate constants for the reactions of isobutyl, neopentyl, cyclopentyl, and cyclohexyl radicals with molecular oxygen journal May 1986
Product formation from the gas-phase reactions of OH radicals and O3 with a series of monoterpenes journal January 1994
Study of the carbonyl products of terpene/OH radical reactions: detection of the 2,4-DNPH derivatives by HPLC-MS journal April 2004
Estimation of hydroxyl radical reaction rate constants for gas-phase organic compounds using a structure-reactivity relationship: An update journal January 1995
The roles of individual oxidants in secondary organic aerosol formation from Δ3-carene: 1. gas-phase chemical mechanism journal August 2004
Theoretical studies of the reaction of hydroperoxy radicals (HO2) with ethyl peroxy (CH3CH2O2), acetyl peroxy (CH3C(O)O2), and acetonyl peroxy (CH3C(O)CH2O2) radicals journal December 2005
Highly Oxygenated Organic Molecules (HOM) from Gas-Phase Autoxidation Involving Peroxy Radicals: A Key Contributor to Atmospheric Aerosol journal January 2019
Atmospheric Autoxidation of Amines journal August 2020
Molecular Composition and Volatility of Organic Aerosol in the Southeastern U.S.: Implications for IEPOX Derived SOA journal February 2016
Isomerization of Second-Generation Isoprene Peroxy Radicals: Epoxide Formation and Implications for Secondary Organic Aerosol Yields journal April 2017
Double Bonds Are Key to Fast Unimolecular Reactivity in First-Generation Monoterpene Hydroxy Peroxy Radicals journal March 2020
Unimolecular Reactions Following Indoor and Outdoor Limonene Ozonolysis journal January 2021
Computational Study of Hydrogen Shifts and Ring-Opening Mechanisms in α-Pinene Ozonolysis Products journal November 2015
Cost-Effective Implementation of Multiconformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions journal December 2016
Calculated Hydrogen Shift Rate Constants in Substituted Alkyl Peroxy Radicals journal September 2018
Computational Investigation of RO 2 + HO 2 and RO 2 + RO 2 Reactions of Monoterpene Derived First-Generation Peroxy Radicals Leading to Radical Recycling journal November 2018
The Importance of Peroxy Radical Hydrogen-Shift Reactions in Atmospheric Isoprene Oxidation journal January 2019
Unimolecular Reactions of Peroxy Radicals Formed in the Oxidation of α-Pinene and β-Pinene by Hydroxyl Radicals journal January 2019
Alkoxy Radical Bond Scissions Explain the Anomalously Low Secondary Organic Aerosol and Organonitrate Yields From α-Pinene + NO 3 journal June 2017
Large Discrepancy in the Formation of Secondary Organic Aerosols from Structurally Similar Monoterpenes journal March 2021
Formation of Highly Oxidized Molecules from NO 3 Radical Initiated Oxidation of Δ-3-Carene: A Mechanistic Study journal May 2019
Atmospheric Degradation of Volatile Organic Compounds journal December 2003
An Iodide-Adduct High-Resolution Time-of-Flight Chemical-Ionization Mass Spectrometer: Application to Atmospheric Inorganic and Organic Compounds journal May 2014
OH/OD Initiated Oxidation of Isoprene in the Presence of O 2 and NO journal November 2004
Nontraditional (Per)oxy Ring-Closure Paths in the Atmospheric Oxidation of Isoprene and Monoterpenes journal May 2004
Photochemical Aging of α-Pinene Secondary Organic Aerosol: Effects of OH Radical Sources and Photolysis journal February 2012
Direct Kinetic Study of OH and O 3 Formation in the Reaction of CH 3 C(O)O 2 with HO 2 journal February 2014
Autoxidation of Organic Compounds in the Atmosphere journal September 2013
Formation of Organic Aerosols from the Oxidation of Biogenic Hydrocarbons journal January 1997
Gas-Phase OH Oxidation of Monoterpenes: Gaseous and Particulate Products journal January 2001
Organic aerosol formation from the oxidation of biogenic hydrocarbons journal February 1999
Gas-phase products and secondary aerosol yields from the photooxidation of 16 different terpenes journal January 2006
Ubiquity and dominance of oxygenated species in organic aerosols in anthropogenically-influenced Northern Hemisphere midlatitudes: UBIQUITY AND DOMINANCE OF OXYGENATED OA journal July 2007
Product study of the gas-phase reactions of monoterpenes with the OH radical in the presence of NO x journal January 1990
A large source of low-volatility secondary organic aerosol journal February 2014
The role of highly oxygenated organic molecules in the Boreal aerosol-cloud-climate system journal September 2019
Molecular mechanism for rapid autoxidation in α-pinene ozonolysis journal February 2021
Decomposition of substituted alkoxy radicals—part I: a generalized structure–activity relationship for reaction barrier heights journal January 2009
Functionalization vs. fragmentation: n-aldehyde oxidation mechanisms and secondary organic aerosol formation journal January 2010
A structure–activity relationship for the rate coefficient of H-migration in substituted alkoxy radicals journal January 2010
Theoretical study of Δ-3-(+)-carene oxidation journal January 2014
The 1,5-H-shift in 1-butoxy: A case study in the rigorous implementation of transition state theory for a multirotamer system journal September 2003
Gas-Phase Tropospheric Chemistry of Volatile Organic Compounds: 1. Alkanes and Alkenes journal March 1997
Online analysis of secondary organic aerosols from OH-initiated photooxidation and ozonolysis of α-pinene, β-pinene, Δ3-carene and d-limonene by thermal desorption–photoionisation aerosol mass spectrometry journal January 2017
Evaporation kinetics and phase of laboratory and ambient secondary organic aerosol journal January 2011
Aging of biogenic secondary organic aerosol via gas-phase OH radical reactions journal August 2012
Atmospheric autoxidation is increasingly important in urban and suburban North America journal December 2017
Anthropogenic enhancements to production of highly oxygenated molecules from autoxidation journal March 2019
Hydrolysis of Organonitrate Functional Groups in Aerosol Particles journal December 2012
Characterization of thermal decomposition of oxygenated organic compounds in FIGAERO-CIMS journal July 2021
The Penetration of a Potential Barrier by Electrons journal June 1930
Evolution of Organic Aerosols in the Atmosphere journal December 2009
Elemental composition and oxidation of chamber organic aerosol journal January 2011
EVAPORATION: a new vapour pressure estimation methodfor organic molecules including non-additivity and intramolecular interactions journal January 2011
Photo-oxidation of pinonaldehyde at low NOx: from chemistry to organic aerosol formation journal January 2013
Secondary organic aerosol formation from biomass burning intermediates: phenol and methoxyphenols journal January 2013
Observations of gas- and aerosol-phase organic nitrates at BEACHON-RoMBAS 2011 journal January 2013
Global data set of biogenic VOC emissions calculated by the MEGAN model over the last 30 years journal January 2014
Phase partitioning and volatility of secondary organic aerosol components formed from α-pinene ozonolysis and OH oxidation: the importance of accretion products and other low volatility compounds journal January 2015
A model framework to retrieve thermodynamic and kinetic properties of organic aerosol from composition-resolved thermal desorption measurements journal January 2018
Estimating the saturation vapor pressures of isoprene oxidation products C 5 H 12 O 6 and C 5 H 10 O 6 using COSMO-RS journal January 2018
Chamber-based insights into the factors controlling epoxydiol (IEPOX) secondary organic aerosol (SOA) yield, composition, and volatility journal January 2019
A robust clustering algorithm for analysis of composition-dependent organic aerosol thermal desorption measurements journal January 2020
Multi-generation OH oxidation as a source for highly oxygenated organic molecules from aromatics journal January 2020
Atmospheric photooxidation and ozonolysis of Δ3-carene and 3-caronaldehyde: rate constants and product yields journal January 2021
Hygroscopicity of secondary organic aerosols formed by oxidation of cycloalkenes, monoterpenes, sesquiterpenes, and related compounds journal January 2006
The formation, properties and impact of secondary organic aerosol: current and emerging issues journal January 2009
A novel method for online analysis of gas and particle composition: description and evaluation of a Filter Inlet for Gases and AEROsols (FIGAERO) journal January 2014