Sixteen CB11(CH3)n(CD3)12-n· radicals with fivefold substitution symmetry: Spin distribution in CB11Me12

• Autoři: KALETA Jiří; TARÁBEK Jan; AKDAG Akin; POHL Radek; MICHL Josef
• Rok publikování: 2012
• Druh: Konferenční abstrakty
• Fakulta / Pracoviště MU: Přírodovědecká fakulta
• Popis: The syntheses of all sixteen CB₁₁(CH₃)_n(CD₃)_12-n^. radicals with fivefold substitution symmetry are described. The variation in the width of their broad and featureless EPR signals is used to deduce the relative values of the av. hyperfine coupling consts. a_H of the hydrogen atoms in the ipso (1), ortho (2-6), meta (7-11), and para (12) Me groups: a_H(i) : a_H(o) : a_H(m) : a_H(p) = (0.5 +/- 5.8) : (1.5 +/- 1.3) : (3.6 +/- 0.5) : (1.6 +/- 6.3). The values are in fair agreement with the results of a B3LYP/EPRII calcn.