It is necessary to evaluate the relevant kinetic quantities to determine whether this mechanism can explain the experimental reports. To that end, the TS search was carried out using the QST3 optimization method, as the constrained scheme had failed to provide the correct TS structure. Fig. depicts this structure, in which a first CH3 group displays weak interaction with In at 2.73 Å, while the second group is rotated leftward to resemble the formation of DMI. For this case, the first frequency mode, ν1 = -466 cm -1 , has vibrational vectors that are consistent with the reaction mechanism. Naturally, 2 CH3 groups lying at the bottom move alongside C2H6 formation, with the C-C distance decreasing from 2.36 to 1.53 Å for the TS and final product, respectively.