An Updated View of Primary Ionization Processes in Polar Liquids

Irina V. Beregovaya, Irina S. Tretyakova, Vsevolod I. Borovkov

Результат исследования: Научные публикации в периодических изданияхстатьярецензирование

Аннотация

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.

Язык оригиналаанглийский
Страницы (с-по)11573-11577
Число страниц5
ЖурналJournal of Physical Chemistry Letters
Том12
Номер выпуска47
DOI
СостояниеОпубликовано - 2 дек. 2021

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  • 2.05 ТЕХНОЛОГИЯ МАТЕРИАЛОВ
  • 1.04 ХИМИЧЕСКИЕ НАУКИ

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