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• W2019741572 abstract "Electron-nuclear double resonance spectra at 95 GHz and electron-spin-echo envelope-modulation spectra at 9.5 GHz are reported for a frozen solution of fully C13 enriched C60 molecules in their photoexcited triplet state. Analysis of these data reveals that the triplet wave function is largely localized on a part of the molecule. Upon excitation, the C60 molecule adopts a structure of D5d symmetry with four symmetry inequivalent carbon atoms. The equator atoms each carry 3.8% of the spin density and the atoms next to the equator 1.1%, together accounting for 98% of the total spin density. These π-spin densities make the hyperfine interaction mainly anisotropic. A slight s-spin density on the equator atoms adds a sizable isotropic hyperfine coupling. The triplet wave function is calculated quantum-chemically and compared with the observed spin-density distribution." @default.
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• W2019741572 date "2000-04-22" @default.
• W2019741572 modified "2023-10-01" @default.
• W2019741572 title "The triplet wave function of C60 from <i>W</i>-band electron nuclear double resonance spectroscopy" @default.
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• W2019741572 doi "https://doi.org/10.1063/1.481305" @default.
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