Aqueous-phase photo-oxidation of selected green leaf volatiles initiated by  OH radicals: Products and atmospheric implications

Sarang, Kumar; Otto, Tobias; Gagan, Sahir; Rudziński, Krzysztof J.; Schaefer, Thomas; Brüggemann, Martin; Grgić, Irena; Kubas, Adam; Herrmann, Hartmut; Szmigielski, Rafał

doi:10.1016/j.scitotenv.2023.162622

Cited by 3 publications

(2 citation statements)

References 109 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[30][31][32][33][34][35] Formation pathways via aqueous-phase reactions in general begin with the reactive uptake of gas-phase organic species (e.g., isoprene-derived epoxides and hydroperoxides), formed upon the photochemical oxidation of various VOCs, onto pre-existing sulfate aerosols; following this, OSs can be obtained from aqueous-phase reactions such as acid-catalyzed ring-opening of epoxides and sulfate esterification. 8,10,34,[36][37][38][39][40][41][42][43] Other important processes are nucleophilic substitution of tertiary organonitrates by SO 4 2À , 44,45 and addition of sulfoxy radical anions (i.e., sulfite (SO 3…”

Section: Abundance and Formation Pathways Of Organosulfates (Oss)mentioning

confidence: 99%

“…, isoprene-derived epoxides and hydroperoxides), formed upon the photochemical oxidation of various VOCs, onto pre-existing sulfate aerosols; following this, OSs can be obtained from aqueous-phase reactions such as acid-catalyzed ring-opening of epoxides and sulfate esterification. 8,10,34,36–43 Other important processes are nucleophilic substitution of tertiary organonitrates by SO 4 2− , 44,45 and addition of sulfoxy radical anions ( i.e. , sulfite (SO 3 ˙ − ) and sulfate (SO 4 ˙ − ) radicals) to unsaturated organic molecules.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Beyond the formation: unveiling the atmospheric transformation of organosulfatesviaheterogeneous OH oxidation

Ng,

Chan

2023

Chem. Commun.

View full text Add to dashboard Cite

show abstract

Section: Abundance and Formation Pathways Of Organosulfates (Oss)mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Beyond the formation: unveiling the atmospheric transformation of organosulfatesviaheterogeneous OH oxidation

Ng,

Chan

2023

Chem. Commun.

View full text Add to dashboard Cite

show abstract

Synthetic strategies for oxidation products from biogenic volatile organic compounds in the atmosphere: A review

Gagan,

Sarang,

Rudzinski

et al. 2023

Atmospheric Environment

View full text Add to dashboard Cite

Mechanistic insight into the kinetic fragmentation of norpinonic acid in the gas phase: an experimental and density functional theory (DFT) study

Kurzydym,

Błaziak,

Podgórniak

et al. 2024

Atmos. Chem. Phys.

View full text Add to dashboard Cite

Abstract. Norpinonic acid has been known as an important α-pinene atmospheric secondary organic aerosol (SOA) component. It is formed in the reaction of α-pinene, β-pinene or verbenone with atmospheric oxidizing reagents. In the presented study, tandem mass spectrometry techniques were used to determine the exact norpinonic acid fragmentation pathway in the gas phase. The precursor anion – deprotonated norpinonic acid (m/z 169), generated in an electrospray (ESI) source – was introduced into the collision cell of the mass spectrometer and fragmented using the energy-resolved collision-induced dissociation (ER-CID) technique. The experimental energy values of degradation processes were determined via analysis of the breakdown curves. Quantum chemical calculations of the reaction models were also constructed, including calculation of all transition states. Comparison between the experimental and the theoretical threshold energies calculated at a ωB97XD/6-311+G(2d,p) theoretical level has shown a good correlation. Two basic pathways of the fragmentation of the parent anion [M-H]− (m/z 169) were observed. Firstly this leads to the decarboxylation product (m/z 125) and secondly to the loss of a neutral molecule (C4H6O), together with the formation of the anion m/z 99. On the other hand, the breakdown of the anion m/z 125 gives rise to the m/z 69, 57 and 55 ions. To confirm structures formed during ER-CID experiments, the gas-phase proton transfer reactions were examined of all norpinonic acid anionic fragments with a series of neutral reagents, characterized by proton affinity (PA) values. Based on PA difference analysis, the most possible chemical structures were proposed for the observed fragment anions.

show abstract

Aqueous-phase photo-oxidation of selected green leaf volatiles initiated by OH radicals: Products and atmospheric implications

Cited by 3 publications

References 109 publications

Beyond the formation: unveiling the atmospheric transformation of organosulfatesviaheterogeneous OH oxidation

Beyond the formation: unveiling the atmospheric transformation of organosulfatesviaheterogeneous OH oxidation

Synthetic strategies for oxidation products from biogenic volatile organic compounds in the atmosphere: A review

Mechanistic insight into the kinetic fragmentation of norpinonic acid in the gas phase: an experimental and density functional theory (DFT) study

Contact Info

Product

Resources

About