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Zur Frage der Ladungsverteilung in ionischen π‐Systemen
Author(s) -
Müllen Klaus
Publication year - 1976
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19760590439
Subject(s) - dication , chemistry , charge density , anthracene , spin density , ion , ionic bonding , charge (physics) , computational chemistry , chemical physics , photochemistry , organic chemistry , condensed matter physics , quantum mechanics , physics
On the Charge Distribution in Ionic π‐Systems The charge distribution in the anthracene dianion and dication is investigated by means of 13 C‐NMR. spectroscopy and compared with the spin density distribution in the corresponding radical ions. It appears that the excess charge in the dianion is distributed in a highly non‐uniform manner and that, quite surprisingly, the quaternary carbon atoms bear positive charges. These findings can be rationalized by means of MO‐models.