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• W3217367960 abstract "According to picosecond radiolysis data, primary radical cations in irradiated carbonates are very rapidly deprotonated. At the same time, analysis of the radiation-induced fluorescence from carbonate solutions indicates the formation of solvent-related radical cationic species with a relatively long lifetime. We use quantum chemical methods to develop a model of carbonate ionization that reconciles these conflicting data. Using ethylene carbonate as an example and assuming that its molecules exist in solution as a collection of dimeric associates, we show that both processes are the result of the loss of an electron from such dimers. This demonstrates that the generally accepted conceptualization of a primary ionization event, based on the idea of the formation of a radical cation of an individual molecule of an irradiated substance, requires revision in the case of polar aprotic liquids that tend to form molecular associates." @default.
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• W3217367960 date "2021-11-22" @default.
• W3217367960 modified "2023-10-18" @default.
• W3217367960 title "An Updated View of Primary Ionization Processes in Polar Liquids" @default.
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• W3217367960 doi "https://doi.org/10.1021/acs.jpclett.1c03388" @default.
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