Abstract
The ENDOR technique is applied to study the structure of the free radical N(CH3)3, found in the high temperature phase in the incommensurate crystal BCCD after γ-irradiation. The radical possesses a planar structure with strong deviation from the C3 symmetry. The hybridization of the nitrogen atom is sp2. Each of the three methyl groups exhibits a single ENDOR line, indicating the rotation of groups at room temperature. The deviation of the1H hyperfine tensors of the methyl groups from axial symmetry is not a hint as to a hindered rotation of the groups. This is predicted by the C2 symmetry of the system consisting of a π orbital and a rotating CH3 group.
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An erratum to this article is available at http://dx.doi.org/10.1007/BF03162607.
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Metz, H., Böttcher, R. 1H-ENDOR investigations on gamma-irradiated betaine calcium chloride dihydrate at room temperature. Appl. Magn. Reson. 9, 319–328 (1995). https://doi.org/10.1007/BF03161956
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DOI: https://doi.org/10.1007/BF03161956