Topological Ring-Currents in Condensed Benzenoid HydrocarbonsReport as inadecuate

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Croatica Chemica Acta, Vol.81 No.2 June 2008. -

Topological ring-currents are defined as being pi-electron ring-current intensities in condensed,

benzenoid hydrocarbons that i are calculated by the simplest Hückel-London-Pople-

McWeeny method, ii are based on a molecular geometry of regular hexagons of carbon atoms,

and iii are expressed as a ratio to the corresponding ring-current intensity calculated, by

the same method, for benzene. Once a particular benzenoid hydrocarbon has been specified,

such topological ring-currents are predetermined and do not further depend on any subjective

or other parameters; they are, therefore, purely graph-theoretical indices, reliant solely on

knowledge of a vertex-adjacency matrix for the graph representing the connectivity of the carbon

atoms in the benzenoid molecule under study. For convenient reference, tables of all

known topological ring-current intensities – some published, and others so-far unpublished –

are presented for future evaluation and possible comparison with other graph-theoretical indices

that characterise the individual rings of a condensed, benzenoid hydrocarbon.

ring currents; benzenoid hydrocarbons; graph theory

Author: R. B. Mallion - ; School of Physical Sciences, University of Kent, Canterbury, England, United Kingdom



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