The 16 CB11(CH3)n(CD3)12−n • Radicals with 5‑Fold Substitution
Symmetry: Spin Density Distribution in CB11Me12 •

J 2012

The 16 CB11(CH3)n(CD3)12−n • Radicals with 5‑Fold Substitution Symmetry: Spin Density Distribution in CB11Me12 •

KALETA, Jiří, Ján TARÁBEK, Akin AKDAG, Radek POHL, Josef MICHL et. al.

Základní údaje

Originální název

The 16 CB11(CH3)n(CD3)12−n • Radicals with 5‑Fold Substitution Symmetry: Spin Density Distribution in CB11Me12 •

Autoři

KALETA, Jiří, Ján TARÁBEK, Akin AKDAG, Radek POHL a Josef MICHL

Vydání

INORGANIC CHEMISTRY, Spojené státy americké, American Chemical Society, Washington DC, 2012, 0020-1669

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10401 Organic chemistry

Stát vydavatele

Česká republika

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 4.593

Organizační jednotka

Přírodovědecká fakulta

DOI

http://dx.doi.org/10.1021/ic301236s

UT WoS

000309739100038

Klíčová slova česky

anion; oxidace; polymeraze; isobutylen; karboran; CB11Me12; soli; bor

Klíčová slova anglicky

ANION; OXIDATION; POLYMERIZATION; ISOBUTYLENE; CARBORANES; CB11ME12; SALTS; BORON

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 17. 12. 2012 11:54, Mgr. Jiří Kaleta, Ph.D.

Anotace

ORIG CZ

V originále

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 a_H of the hydrogen atoms in the ipso (1), ortho (2-6), meta (7-11), and para (12) methyl groups, a_H(i):a_H(o):a_H(m):a_H(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.

Česky

Citovat

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.

@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 a_H of the hydrogen atoms in the ipso (1), ortho (2-6), meta (7-11), and para (12) methyl groups, a_H(i):a_H(o):a_H(m):a_H(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.

Podrobný výpis o publikaci