Infrared reflection study of cofacially stacked phthalocyanines doped with iodine

Abstract

The reflectance spectra of fluoroaluminium and fluorogallium phthalocyanines, doped to varying extents with molecular iodine, are reported. Analysis of the spectra according to the Drude and Lorentz theories gives a good fit to the Lorentz model. The analysis yields optical constants, bandwidths and effective carrier masses. Comparison of these data with those for other cofacially stacked phthalocyanines gives monotonic variations of effective mass and bandwidth with ring separation. Extended Huckel band calculations give good agreement with theory, establishing confidence in the choice of parameters for band calculations in molecular crystals.