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- W2171536064 abstract "The radical anion of 1,1,2.2,9,9,10, 10-octafluoro[2.2]paracyclophane (1) has been generated by electrolytic reduction of 1 in 1,2-dimethoxyethane (tetrabutylammonium perchlorate as the supporting salt). The hyperfine coupling constants of the eight 19F-nuclei and the eight protons, af = 3.35 and aH ≈ 0.10 mT, are qualitatively reproduced by INDO. calculations. According to these calculations, the singly occupied orbital of 1⊖ can be represented by an Ag-combination of two ‘symmetric’ benzene LUMO's, with a substantial transfer of spin population into the 2s-AO's of the F-atoms. Line-width alternation in the ESR. spectrum of 1⊖ indicates an ion pairing of the radical anion with its counter-ion Bu4N⊖. The energy barrier to the migration of the cation between two equivalent sites at the radical anion is determined as 14±2 kJ/mol." @default.
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- W2171536064 date "1982-03-17" @default.
- W2171536064 modified "2023-10-16" @default.
- W2171536064 title "The ESR. Spectrum of the Radical Anion of 1,1,2,2,9,9,10,10-Octafluoro [2.2]paracyclophane" @default.
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- W2171536064 doi "https://doi.org/10.1002/hlca.19820650213" @default.
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