A simple crystal orbital method for columnar stacks of conjugated macrocyclic radical ions
- 1 January 1982
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 13,p. 744-745
- https://doi.org/10.1039/c39820000744
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.Keywords
This publication has 0 references indexed in Scilit: