However, the HOMO (-0.2754) of the PT-forming H2O2 is lower than the HOMO (-0.1648) of HO2 -, making the reverse ET impossible. Thus, the second PT is dominant in determining the ET direction. Notably, only one conformer (-2H b -e) formed after the dihedral rotation of the 2carboxamide group was adaptable for the radical cation due to the stability of intramolecular HB.