Zero-field splitting parameters D of macrocyclic systems

Vogler, Helmut

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Zero-field splitting parameters D of macrocyclic systems

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Vogler, Helmut
Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

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Citation

Vogler, H. (1980). Zero-field splitting parameters D of macrocyclic systems. Croatica Chemica Acta, 53(4), 667-673. Retrieved from https://hrcak.srce.hr/index.php?show=clanak&id_clanak_jezik=286752.

Cite as: https://hdl.handle.net/21.11116/0000-0004-9E38-C

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.