Abstract
Dimer radical ions of aromatic molecules in which excess charge is localized in a pair of rings have been extensively investigated. While dimer radical cations of aromatics have been previously produced in the condensed phase, the number of molecules that form dimer anions is very limited. In this study, we report the formation of intramolecular dimer radical ions (cations and anions) of diphenyl sulfone derivatives (DPs) by electron beam pulse radiolysis in the liquid phase at room temperature. The density functional theory (DFT) calculations also showed the formation of the dimer radical ions. The torsion barrier of the phenyl ring of DPs was also calculated. It was found that the dimer radical ions show the larger barrier than the neutral state. Finally, stability of the dimer radical anion is dependent on not only the inductive effect of the sulfonyl group but the conjugation involving the d-orbital of the S atom and the phenyl rings.
Highlights
Dimer radical ions of aromatic molecules in which excess charge is localized in a pair of rings have been extensively investigated
We report the formation of dimer radical ions of DPs in the liquid phase at room temperature
As a result of transient absorption spectroscopy, charge resonance (CR) bands from the dimer radical cations and anions could be observed in the NIR spectrum
Summary
Dimer radical ions of aromatic molecules in which excess charge is localized in a pair of rings have been extensively investigated. While dimer radical cations of aromatics have been previously produced in the condensed phase, the number of molecules that form dimer anions is very limited. We report the formation of intramolecular dimer radical ions (cations and anions) of diphenyl sulfone derivatives (DPs) by electron beam pulse radiolysis in the liquid phase at room temperature. Dimer radical ions (cations and anions) of aromatic molecules are species in which one hole or electron is localized in a pair of aromatic rings in a stabilized form. The other is the π-type, in which phenyl rings with electron-withdrawing groups, such as CN- and F- substituents, overlap[21,22,23,24] This is similar to the π–π stacking in dimer radical cations. We discuss the factors contributing to the robustness of the dimer radical anion of diphenyl sulfones
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