About: Sixteen CB11(CH3)n(CD3)12-n x radicals with fivefold substitution symmetry: Spin distribution in CB11Me12     Goto   Sponge   NotDistinct   Permalink

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  • The syntheses of all sixteen <b>CB<sub>11</sub>(CH<sub>3</sub>)<sub><i>n</i></sub>(CD<sub>3</sub>)<sub>12-<i>n</i></sub><sup>.</sup></b> 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<sub>H</sub> of the hydrogen atoms in the <i>ipso</i> (1), <i>ortho</i> (2-6), <i>meta</i> (7-11), and <i>para</i> (12) Me groups: <b>a<sub>H</sub>(i) : a<sub>H</sub>(o) : a<sub>H</sub>(m) : a<sub>H</sub>(p) = (0.5 +/- 5.8) : (1.5 +/- 1.3) : (3.6 +/- 0.5) : (1.6 +/- 6.3)</b>. The values are in fair agreement with the results of a B3LYP/EPRII calcn.
  • The syntheses of all sixteen <b>CB<sub>11</sub>(CH<sub>3</sub>)<sub><i>n</i></sub>(CD<sub>3</sub>)<sub>12-<i>n</i></sub><sup>.</sup></b> 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<sub>H</sub> of the hydrogen atoms in the <i>ipso</i> (1), <i>ortho</i> (2-6), <i>meta</i> (7-11), and <i>para</i> (12) Me groups: <b>a<sub>H</sub>(i) : a<sub>H</sub>(o) : a<sub>H</sub>(m) : a<sub>H</sub>(p) = (0.5 +/- 5.8) : (1.5 +/- 1.3) : (3.6 +/- 0.5) : (1.6 +/- 6.3)</b>. The values are in fair agreement with the results of a B3LYP/EPRII calcn. (en)
Title
  • Sixteen CB11(CH3)n(CD3)12-n x radicals with fivefold substitution symmetry: Spin distribution in CB11Me12
  • Sixteen CB11(CH3)n(CD3)12-n x radicals with fivefold substitution symmetry: Spin distribution in CB11Me12 (en)
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  • Sixteen CB11(CH3)n(CD3)12-n x radicals with fivefold substitution symmetry: Spin distribution in CB11Me12
  • Sixteen CB11(CH3)n(CD3)12-n x radicals with fivefold substitution symmetry: Spin distribution in CB11Me12 (en)
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  • RIV/00216224:14310/12:00060873!RIV13-MSM-14310___
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  • carborane; radical; spin density (en)
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  • Kaleta, Jiří
  • Michl, Josef
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  • Tarábek, Jan
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