C. Etzlstorfer et al., STRUCTURAL ASPECTS AND ELECTRONIC ABSORPTION OF THE HYDROXYPHENANTHROPERYLENE QUINONES FRINGELIT-D, HYPERICIN, AND STENTORIN, Monatshefte fuer Chemie, 127(6-7), 1996, pp. 659-668
PPP type semiempirical quantum chemical calculations of absorption spe
ctra were performed for hypericin, fringelit D, stentorin, and their r
espective conformers, tautomers, and deprotonated species. The results
agree with the experimental absorption spectra of hypericin, stentori
n, and fringelit D, their deprotonated species, and the polarized abso
rption spectra of an omega,omega'-long chain appended hypericin deriva
tive embedded in stretched polyethylene.