Regioisomer-specific electron affinities and electronic structures of C-70 para-adducts at polar and equatorial positions with (bromo) benzyl radicals: photoelectron spectroscopy and theoretical study

摘要

Negative ion photoelectron spectroscopy shows interesting regioisomer-specific electron affinities (EAs) of 2,5- and 7,23-para-adducts of C-70 [(ArCH2)(2)C-70] (Ar = Ph, o=, m=, and p-BrC6H4). Their EA values are larger than that of C-70 by 5-150 meV with the 2,5-polar adducts' EAs being higher than their corresponding 7,23-equatorial counterparts, exhibiting appreciable EA tunable ranges and regioisomeric specificity. Density functional theory (DFT) calculations reproduce both the experimental EA values and EA trends very well.