title: 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.
authors.affiliation: Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P. O. Box 999, MS K8-88, Richland, Washington 99352, USA. xuebin.wang@pnnl.gov.
authors.forename: Gao-Lei
authors.initials: GL
authors.lastname: Hou
authors.forename: Lei-Jiao
authors.initials: LJ
authors.lastname: Li
authors.forename: Shu-Hui
authors.initials: SH
authors.lastname: Li
authors.forename: Zhong-Ming
authors.initials: ZM
authors.lastname: Sun
authors.forename: Xiang
authors.initials: X
authors.lastname: Gao
authors.forename: Xue-Bin
authors.initials: XB
authors.lastname: Wang