The frontier-molecular-orbital (FMO) regio-selectivity framework for electrophilic aromatic substitution (SEAr) on 5-ring π-excessive heteroaromatics (pyrrole, furan, thiophene). Physical origin: π-excessive heterocycles have 6…
The frontier-molecular-orbital (FMO) regio-selectivity framework for electrophilic aromatic substitution (SEAr) on 5-ring π-excessive heteroaromatics (pyrrole, furan, thiophene). Physical origin: π-excessive heterocycles have 6…