Mechanistic Insight into the Reactivities of Aqueous-Phase Singlet Oxygen with Organic Compounds was written by Barrios, Benjamin;Mohrhardt, Benjamin;Doskey, Paul V.;Minakata, Daisuke. And the article was included in Environmental Science & Technology in 2021.Recommanded Product: 95-88-5 The following contents are mentioned in the article:
Singlet oxygen (1O2) is a selective reactive oxygen species that plays a key role for the fate of various organic compounds in the aquatic environment under sunlight irradiation, engineered water oxidation systems, atm. water droplets, and biomedical systems. While the initial rate-determining charge-transfer reaction mechanisms and kinetics of 1O2 have been studied extensively, no comprehensive studies have been performed to elucidate the reaction mechanisms with organic compounds that have various functional groups. In this study, we use d. functional theory calculations to determine elementary reaction mechanisms with a wide variety of organic compounds The theor. calculated aqueous-phase free energies of activation of single electron transfer and 1O2 addition reactions are compared to the exptl. determined rate constants in the literature to determine linear free-energy relationships. The theor. calculated free energies of activation for the groups of phenolates and phenols show excellent correlations with the Hammett constants that accept electron densities by through-resonance. The dominant elementary reaction mechanism is discussed for each group of compounds As a practical implication, we demonstrate the fate of environmentally relevant organic compounds induced by photochem. produced intermediate species at different pH and evaluate the impact of predicting rate constants to the half-life. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Recommanded Product: 95-88-5).
4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Recommanded Product: 95-88-5
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics