Publication details
The 16 CB11(CH3)n(CD3)12−n • Radicals with 5‑Fold Substitution Symmetry: Spin Density Distribution in CB11Me12 •
| Authors | |
|---|---|
| Year of publication | 2012 |
| Type | Article in Periodical |
| Magazine / Source | INORGANIC CHEMISTRY |
| MU Faculty or unit | |
| Citation | |
| web | http://pubs.acs.org/doi/abs/10.1021/ic301236s |
| Doi | http://dx.doi.org/10.1021/ic301236s |
| Field | Organic chemistry |
| Keywords | ANION; OXIDATION; POLYMERIZATION; ISOBUTYLENE; CARBORANES; CB11ME12; SALTS; BORON |
| Description | The syntheses of all 16 CB11(CH3)n(CD3)12-n . radicals with 5-fold substitution symmetry are described. The variation in the width of their broad and featureless electron paramagnetic resonance signals as a function of the deuteriation pattern is used to deduce the relative values of the average hyperfine coupling constants aH of the hydrogen atoms in the ipso (1), ortho (2-6), meta (7-11), and para (12) methyl groups, aH(i):aH(o):aH(m):aH(p) = (0.18 +/- 0.09):(0.71 +/- 0.02):(1.00 +/- 0.03):(0.52 +/- 0.05), and these can be compared with ratios expected from a B3LYP/EPRII calculation, 0.04 : 0.55 : 1 : 0.51. |