Bf. Plummer et al., LINEAR DICHROISM OF ACENAPHTHO[1,2-K]FLUORANTHENE AND ITS 7,14-DIPHENYL AND 7,14-DICARBETHOXY DERIVATIVES, Journal of physical chemistry, 98(31), 1994, pp. 7470-7474
The linear dichroism spectra of acenaphtho[1,2-k]fluoranthene, 7,14-di
phenylacenaphtho[1,2-k]fluoranthene, and 7,1 4-dicarbethoxyacenaphtho[
1,2-k]fluoranthene in stretched polyethylene sheet at room temperature
were measured. The electronic transition energies and transition mome
nt directions were computed by semiempirical PPP SCF CI and ZINDO calc
ulations and compared to the experimentally determined values. A high
degree of similarity to the electronic transitions in fluoranthene is
found. At least six electronic transitions are assigned on the basis o
f the linear dichroism spectra. The phenyl and carbethoxy substituents
produce only a minor perturbation of the experimental spectroscopic t
ransitions. These results are consistent with data that show that the
orthogonality of the substituents prohibits their significant conjugat
ion with the parent molecule. The orientation of the compounds in the
stretched sheet is discussed.