Sobhan Neyrizi

                bottom part, also see Supporting Information Figure S3.10)                           Figure S3.3   Figure 3.3. 4 kcal/mol energy is gained when C-2 proton is brought into interaction with *CO2 ¯ (configuration i vs configuration ii). This extra energy gain can be understood in terms of a more uniform charge distribution. VDD charges are shown for the oxygen atoms of *CO2¯and involved C2-, C4-, and C5- protons (for differential charge analysis see Supporting Information Figure S3.10). Surface charge densities (on COSMO surface) are constructed and are depicted below each relevant configuration.

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