KALETA, Jiří, Jan TARÁBEK, Akin AKDAG, Radek POHL a Josef MICHL. Sixteen CB11(CH3)n(CD3)12-n· radicals with fivefold substitution symmetry: Spin distribution in CB11Me12. In 244th ACS National Meeting & Exposition, Philadelphia, PA, United States. 2012. |
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@proceedings{991829, author = {Kaleta, Jiří and Tarábek, Jan and Akdag, Akin and Pohl, Radek and Michl, Josef}, booktitle = {244th ACS National Meeting & Exposition, Philadelphia, PA, United States}, keywords = {carborane; radical; spin density}, language = {eng}, title = {Sixteen CB11(CH3)n(CD3)12-n· radicals with fivefold substitution symmetry: Spin distribution in CB11Me12}, url = {http://portal.acs.org/portal/acs/corg/content?_nfpb=true&_pageLabel=PP_MULTICOLUMN_T5_33&node_id=737&use_sec=false&sec_url_var=region1&__uuid=d69cd2a6-93c9-41f2-b2f8-f875d3336ce2}, year = {2012} }
TY - CONF ID - 991829 AU - Kaleta, Jiří - Tarábek, Jan - Akdag, Akin - Pohl, Radek - Michl, Josef PY - 2012 TI - Sixteen CB11(CH3)n(CD3)12-n· radicals with fivefold substitution symmetry: Spin distribution in CB11Me12 KW - carborane KW - radical KW - spin density UR - http://portal.acs.org/portal/acs/corg/content?_nfpb=true&_pageLabel=PP_MULTICOLUMN_T5_33&node_id=737&use_sec=false&sec_url_var=region1&__uuid=d69cd2a6-93c9-41f2-b2f8-f875d3336ce2 N2 - 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. aH of the hydrogen atoms in the ipso (1), ortho (2-6), meta (7-11), and para (12) Me groups: aH(i) : aH(o) : aH(m) : aH(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. ER -
KALETA, Jiří, Jan TARÁBEK, Akin AKDAG, Radek POHL a Josef MICHL. Sixteen CB11(CH3)n(CD3)12-n· radicals with fivefold substitution symmetry: Spin distribution in CB11Me12. In \textit{244th ACS National Meeting \&{} Exposition, Philadelphia, PA, United States}. 2012.
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