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Can I read The Oxidation Mechanism of Gas-phase Ozonolysis of Limonene in the Atmosphere on EtoBox?
The Oxidation Mechanism of Gas-phase Ozonolysis of Limonene in the Atmosphere by Lingyu Wang; Liming Wang is a Chemistry article available to read on EtoBox.
What is The Oxidation Mechanism of Gas-phase Ozonolysis of Limonene in the Atmosphere about?
Limonene with endo- and exo-double bonds is a significant monoterpene in the atmosphere and has high reactivity towards O3. We investigated the atmospheric oxidation mechanism of limonene ozonolysis using a high level quantum chemistry calculation coupled with RRKM-ME kinetic simulation. The additions of O3 can take place at both the endo- and exo-double bonds with a branching ratio of 0.87 : 0.13, forming four major highly energized CIs\* (named Syn-2a\*, Syn-2b\*, Anti-2b\* and Anti-2c\*) with the relative higher fractions of 0.21 : 0.35 : 0.27 : 0.11. A yield of 4% for Limona-ketone was obtained as well. For the unimolecular isomerization pathways of limonene + O3 → POZs → CIs\* → SOZ, VHP, or dioxirane, five, one, or none of the internal rotations are treated as hindered internal rotors for CIs\*. We obtained percentages of 0.59 : 0.18 : 0.14 in total for separate isomerization routes in the formation of VHPs, dioxirane and SOZs from CIs\* using the fourth-order Runge-Kutta method. Additionally, a yield of ∼5% was acquired for stabilized CIs compiling the fractions of different addition routes. About ∼10% of stabilized Anti-2b would isomerize to VHP and 90% would isomerize to S
Who reads The Oxidation Mechanism of Gas-phase Ozonolysis of Limonene in the Atmosphere?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Lingyu Wang; Liming Wang
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2021
- Language
- EN
- Field
- Chemistry (Physical Sciences)