| KALETA, Jiří, Ján TARÁBEK, Akin AKDAG, Radek POHL a Josef MICHL. The 16 CB11(CH3)n(CD3)12−n • Radicals with 5‑Fold Substitution Symmetry: Spin Density Distribution in CB11Me12 •. INORGANIC CHEMISTRY. Spojené státy americké: American Chemical Society, Washington DC, 2012, roč. 51, č. 20, s. 10819-10824. ISSN 0020-1669. Dostupné z: https://dx.doi.org/10.1021/ic301236s. |
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@article{1078740,
author = {Kaleta, Jiří and Tarábek, Ján and Akdag, Akin and Pohl, Radek and Michl, Josef},
article_location = {Spojené státy americké},
article_number = {20},
doi = {http://dx.doi.org/10.1021/ic301236s},
keywords = {ANION; OXIDATION; POLYMERIZATION; ISOBUTYLENE; CARBORANES; CB11ME12; SALTS; BORON},
language = {eng},
issn = {0020-1669},
journal = {INORGANIC CHEMISTRY},
title = {The 16 CB11(CH3)n(CD3)12−n • Radicals with 5‑Fold Substitution Symmetry: Spin Density Distribution in CB11Me12 •},
url = {http://pubs.acs.org/doi/abs/10.1021/ic301236s},
volume = {51},
year = {2012}
}
TY - JOUR
ID - 1078740
AU - Kaleta, Jiří - Tarábek, Ján - Akdag, Akin - Pohl, Radek - Michl, Josef
PY - 2012
TI - The 16 CB11(CH3)n(CD3)12−n • Radicals with 5‑Fold Substitution Symmetry: Spin Density Distribution in CB11Me12 •
JF - INORGANIC CHEMISTRY
VL - 51
IS - 20
SP - 10819-10824
EP - 10819-10824
PB - American Chemical Society, Washington DC
SN - 00201669
KW - ANION
KW - OXIDATION
KW - POLYMERIZATION
KW - ISOBUTYLENE
KW - CARBORANES
KW - CB11ME12
KW - SALTS
KW - BORON
UR - http://pubs.acs.org/doi/abs/10.1021/ic301236s
L2 - http://pubs.acs.org/doi/abs/10.1021/ic301236s
N2 - 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.
ER -
KALETA, Jiří, Ján TARÁBEK, Akin AKDAG, Radek POHL a Josef MICHL. The 16 CB11(CH3)n(CD3)12−n • Radicals with 5‑Fold Substitution Symmetry: Spin Density Distribution in CB11Me12 •. \textit{INORGANIC CHEMISTRY}. Spojené státy americké: American Chemical Society, Washington DC, 2012, roč.~51, č.~20, s.~10819-10824. ISSN~0020-1669. Dostupné z: https://dx.doi.org/10.1021/ic301236s.
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