A study of the absorption, circular dichroism and magnetic circular dichroism spectra of a flavin derivative. The pi-electronic structure of 8-amino-8-demethyl-D-riboflavin.

The absorption, CD and MCD spectra of 8-amino-8-demethyl-D-riboflavin, which showed novel spectral properties, were measured in the spectral region from 220 nm to 540 nm and the spectra obtained were analyzed in terms of Gaussian wave number curves (from band I to band X). Semi-empirical calculations of the Pariser-Parr-Pople Hamiltonian were performed to investigate the novel spectral properties and the reactivity at the 5-position. The theoretical results as well as the experimental results showed that the novel spectral properties were a result of amino substitution at the 8-position.