The impact of the core architecture and functionalization on the E red. is demonstrated in Figure (b). A violin plot depicts the shape of the data distribution: the broader section of a violin represents a higher variation of E red. . A narrow bit thick in the middle of the plot indicates that data is highly concentrated around the median. One can also say that a fairly uniform violin plot with long tails indicates (cores 7 to 9) that functional type and/or position have a significant impact on that type of core. When compared to other counterparts, cores 1 and 10 have the highest electron-donating characteristic. ET reduction reactions are thermodynamically less favorable for molecules in these two families. We found that small single-ring compounds 3, 4, 7, 8, and 9 are sensitive to functional group addition. This is not very surprising since inductive/mesomeric effects will pump in or remove the electron density for carbons. Figure (c) depicts the pK a distribution: each of the PT03, PT14, and PT47 deprotonation reactions is determined by a unimodal peak, while the others are bimodal. The conversion to a ketone through oxidation increases the acidity of the molecules while deprotonation decreases it. This is in line with common trends in acid-base chemistry which clearly indicate that ketones are very strong acids. Additional negatively charged or the removal of positively charged functional groups reduce the acid strength (i.e.increase the pK a ). Therefore, compounds in QH 2 2+ and QH -states represent the strongest and weakest acids, respectively. Those with negative pK a are unstable in normal solutions and they release proton into the solution even at pH = 0. As a general rule, deprotonation occurs whenever the pH of the solution is greater than the pK a of the solvated molecule. Note that not all the studied QH 2 terminate to Q at pH = 0. It is seen from the partially positive pK a of QH + (i.e. PT58 reaction). In other words, some molecules are deprotonated in a less acidic media.