TY  - JOUR
A1  - Kleinpeter, Erich
A1  - Koch, Andreas
T1  - Probing the exohedral magnetic properties of C20 derivatives by through space NMR shieldings (TSNMRS)
N2  - The through space NMR shieldings (TSNMRS) of dodecahedrane C20H20, of the isomeric hydrocarbons C20H12, of the ions C20H122+ and C20H122- of the fluxional fullerene C20 and of its dication C202+ have been ab initio calculated employing the NICS concept on basis of MP2/6-31G* geometries and visualized as iso-chemical-shielding/deshielding surfaces (ICSSs). TSNMRS values were employed to study the exohedral magnetic properties of the compounds studied. Hereby, the curved It-conjugation in the compounds studied could be quantified.
Y1  - 2010
UR  - https://publishup.uni-potsdam.de/frontdoor/index/index/docId/31235
UR  - http://www.sciencedirect.com/science/journal/01661280
SN  - 0166-1280
ER  -