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- W2020155919 abstract "Two kinds of ethyl radicals have been observed in Xe matrices depending upon the reactions of radical formation. The CH3 group in C2H5(I) formed from H abstraction by H atoms at temperatures below 50 K exhibits an ESR hyperfine pattern characteristic of tunneling rotation in a threefold hindering potential, whereas that in C2H5(II) formed from homolytic scission of the C–H bond exhibits a conventional spectrum typical of free or random hopping rotation with a small barrier. The g and hyperfine coupling tensors indicate that both the ethyl radicals possess a conventional planar or nearly planar structure. It is concluded that the difference in the internal motion arises from an environmental effect which lowers the rotational symmetry from a six‐ to threefold potential. The tunneling splitting has been determined to be 450 MHz for C2H5(I). From this the barrier to internal rotation is estimated to be about 1 kcal/mol. In estimating the barrier height the influence of the interaction of the CH2 group with the surroundings is taken into consideration. The contribution of a zero‐point torsional amplitude in the averaging process of the β‐proton coupling constant is also discussed." @default.
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- W2020155919 date "1981-08-15" @default.
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- W2020155919 title "An ESR and ENDOR study of tunneling rotation of a hindered CH<sub>3</sub>group in C<sub>2</sub>H<sub>5</sub>radicals trapped in xenon matrices at 4.2 K: Environment effect on internal rotation" @default.
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- W2020155919 doi "https://doi.org/10.1063/1.442267" @default.
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