Regioisomer-specific electron affinities and electronic structures of C70para-adducts at polar and equatorial positions with (bromo)benzyl radicals: photoelectron spectroscopy and theoretical study

Abstract

Negative ion photoelectron spectroscopy shows interesting regioisomer-specific electron affinities (EAs) of 2,5- and 7,23-para-adducts of C₇₀ [(ArCH₂)₂C₇₀] (Ar = Ph, o-, m-, and p-BrC₆H₄). Their EA values are larger than that of C₇₀ 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.