Croatica Chemica Acta, Vol. 53 No. 4, 1980.
Conference paper
Zero-Field Splitting Parameters D of Macrocyclic Systems
H. Vogler
; MPI fur Medizinische Forschung, Abteilung Organische Chemie, Jahnstr. 29, D-6900 Heidelberg, Germany
Abstract
The triplet zero-field splitting parameters D of [4n]- and
[4n + 2]-annulenes are calculated within a n-model. The dependence
of D on n and the degree of bond lengths alternation is
compared with that of ground state properties like magnetic ring
currents. Furthermore it is shown that corannulenes which consist
of two concentric perimeters with connecting radial bonds cannot
be regarded as macrocyclic annulenoid systems in the triplet state.
Keywords
Hrčak ID:
194493
URI
Publication date:
25.1.1981.
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