Tian, Shuai published the artcileNew Theoretical Insights into the Atmospheric Chemistry of Methyl Chavicol Initiated by OH and NO3 Radicals, Application of 4-Methoxyphenylacetic acid, the main research area is atm chem methyl chavicol initiated OH NO3 radical.
Me chavicol, as a volatile oxygenated aromatic biogenic volatile organic compound (BVOC), is emitted in large quantities from a variety of plants. Currently, the high second organic aerosol (SOA) yield (40%) from photochem. oxidation of Me chavicol and its unclear formation mechanism have attracted enormous research interest. In this study, we conducted an in-depth theor. investigation on the atm. oxidation processes of Me chavicol initiated by OH and NO3 radicals using quantum chem. methods. The formation mechanisms for its highly oxidized multifunctional products, such as 2-hydroxy-3-(4-methoxyphenyl)propanal, 2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanal, 1-hydroxy-3-(4-methoxyphenyl)propan-2-one, and 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propan-2-one, have been clarified for the first time, which were detected in the SOA components in the chamber experiment of photo-oxidation of Me chavicol. Hence, gas-phase atm. oxidation of Me chavicol is a probable major contributor to SOA formation arising from biogenic emissions of Me chavicol. The calculated rate coefficient for the gas-phase reaction of Me chavicol with OH radicals is 3.06 × 10-11 cm3 mol.-1 s-1 at 298 K and 1 atm, and the total branching ratios of the formation of IM2, IM3, IM8, IM9, IM10, and IM11 account for the largest proportion (95.18%) of overall branching ratios. The lifetime of Me chavicol with respect to the OH radical is determined to be 4.54 h, indicating a potential effect of Me chavicol photo-oxidation on atm. photochem. and SOA formation relatively far from where it is emitted.
ACS Earth and Space Chemistry published new progress about Air pollution. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Application of 4-Methoxyphenylacetic acid.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem