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Issue 28, 2016
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Regioisomer-specific electron affinities and electronic structures of C70para-adducts at polar and equatorial positions with (bromo)benzyl radicals: photoelectron spectroscopy and theoretical study

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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.

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

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Publication details

The article was received on 08 Jun 2016, accepted on 21 Jun 2016 and first published on 30 Jun 2016


Article type: Communication
DOI: 10.1039/C6CP03978B
Citation: Phys. Chem. Chem. Phys., 2016,18, 18683-18686
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    Regioisomer-specific electron affinities and electronic structures of C70para-adducts at polar and equatorial positions with (bromo)benzyl radicals: photoelectron spectroscopy and theoretical study

    G. Hou, L. Li, S. Li, Z. Sun, X. Gao and X. Wang, Phys. Chem. Chem. Phys., 2016, 18, 18683
    DOI: 10.1039/C6CP03978B

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