Abstract
Low-energy absorption bands in the polarized reflection spectrum of metal-like DMTSA–BF 4 (2,3-dimethyltetraselenoanthracene–BF 4) were interpreted based on a one-dimensional band theory using a point charge approximation. Drude-like dispersion observed in the E∥ c reflection spectrum was assigned to the intra-band transition along the conducting axis. A broad absorption band at ca. 6900 cm −1 in the E⊥ c reflection spectrum was assigned to the inter-branch transition from the lower to the upper branch produced by folding the HOMO band at the zone boundary. The transition probability of this electronic transition originated from the zigzag stacking structure of DMTSA molecules in this crystal. The calculation of the conductivity spectra of this transition according to this proposal agrees well with the observed conductivity spectrum.
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