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- W2040556469 abstract "Propane cation radicals with CS symmetry were found by electron spin resonance in C3F8 and C2F6 at 4 K. They have one C–C bond elongated considerably, and the unpaired electron is in the 10a′ orbital of CS symmetry, which is derived from the 4b1 orbital of C2V symmetry by the deformation. The highest spin density appears in the elongated C–C bond, and the in-plane methyl proton at the other end has the largest hyperfine coupling (hfc) of about 9 mT. The degree of deformation from the C2V form is dependent on the matrices. From the general consideration on the structure of propane cation, it is deduced that the cation in SF6, which has been considered to have C2V symmetry, also has CS symmetry with a smaller distortion, and that distortion to CS symmetry is an intrinsic nature of the propane cation." @default.
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- W2040556469 date "1991-09-15" @default.
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- W2040556469 title "Electron spin resonance study on the structure and dynamics of propane cation radical: The intrinsic form with a <i>C</i> <i>S</i> symmetry" @default.
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- W2040556469 doi "https://doi.org/10.1063/1.460802" @default.
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