Issue 13, 1982

A simple crystal orbital method for columnar stacks of conjugated macrocyclic radical ions

Abstract

The McLachlan approximation has been applied to Ladik's SCF PPP open-shell crystal orbital method in order to compare the band widths in columnar stacks of conjugated macrocyclic radical cations; porphine has thereby been identified as the most promising-p-type extrinsic semiconductor with regard to charge-carrier mobility.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1982, 744-745

A simple crystal orbital method for columnar stacks of conjugated macrocyclic radical ions

C. L. Honeybourne, J. Chem. Soc., Chem. Commun., 1982, 744 DOI: 10.1039/C39820000744

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