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The O3-initiated oxidation of vinyl propionate is studied using quantum chemistry calculations. Detailed and complete reaction mechanisms are presented which involve the formation of the primary ozonide (POZ), the subsequent decomposition of POZ, the secondary reactions of CH3CH2C(O)OCHO2 (IM4) in the presence of H2O or NO as well as the generation of the secondary ozonide (IM6). Based on the above...
Gas-phase reaction mechanisms of ozone with cis/trans-3-hexenyl acetate and cis/trans-2-hexenyl acetate are performed using density functional theory. The reactions are initiated by the formation of the primary ozonides which are followed by the reactions of biradicals with H2O or NO. The formation of the secondary ozonide (SOZ) is also studied. On the basis of the above DFT calculations, the modified...
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