Reactivity of Alkyldibenzothiophenes Using Theoretical Descriptors

Figure 2

Dipole moment as a function of the position of the third methyl (C_𝑥) in trimethyldibenzothiophene and its corresponding dimethyldibenzothiophene (𝑥=0). Crosses represent the series of molecules {𝑥,4,7-TMDBT, (𝑥=1,2,3)}, diamonds represent {𝑥,4,6-TMDBT, (𝑥=1,2,3)}, squares represent {𝑥,3,7-TMDBT, (𝑥=1,2)}, and circles represent {𝑥,3,6-TMDBT, (𝑥=1,2)}.