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CO2 or SO2: Should It Stay, or Should It Go?

dos Passos Gomes, Gabriel ; Wimmer, Alexander ; Smith, Joel M. ; König, Burkhard ; Alabugin, Igor V.



Abstract

A broad computational analysis of carbon-centered radical formation via the loss of either CO2 or SO2 from the respective RXO2 radical precursors (X = C or S) reveals dramatic differences between these two types of dissociative processes. Whereas the C–C scission with the loss of CO2 is usually exothermic, the C–S scission with the loss of SO2 is generally endothermic. However, two factors can ...

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