Abstract
The electronic absorption spectra of a series of 1-benzothiopyrylium salts have been calculated by the variable β PPP method. The agreement between calculated and experimental data is satisfactory in most cases using a general parameter set. The calculated results show that the bathochromic effect of a methoxy group is essentially due to a HOMO-HOMO interaction, and the bathochromic effect of a benzothiopyran ring in the 2-position is due to raising of a HOMO. The electron transfer properties of 1-benzothiopyrylium salts were examined by means of cyclic voltammogram and xerographic discharge techniques. It was found that the reduction wave of thioflavylium ions is reversible.
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