Abstract
The through space NMR shieldings (TSNMRS) of dodecahedrane C 20H 20, of the isomeric hydrocarbons C 20H 12, of the ions C 20H 12 2+ and C 20H 12 2−, of the fluxional fullerene C 20 and of its dication C 20 2+ 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 π-conjugation in the compounds studied could be quantified.
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