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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-entered 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 make ...

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