Spectroscopic Studies of Fluoranthene and 3-Nitrofluoranthene

Polycyclic aromatic hydrocarbons (PAHs) are known byproducts of anthropogenic sources including incomplete combustion of fossil fuels. They are known to be teratogenic, mutagenic and carcinogenic. This study investigated the spectral properties of fluoranthene and 3nitrofluoranthene using NMR, UV-Vis and infrared techniques. The acquisition of spectral data provides a means to identify these compounds in mixtures and can be used which to develop model formulae for quantitation. A 2-D NMR method (HMQC ) was used for assigning 13 C peaks. The infrared spectrum for 3-nitrofluoranthene showed characteristic strong absorption peaks at 1323 and 1516 cm -1 assigned to symmetric/asymmetric nitro stretches, respectively. UV– vis characterization showed a bathochromic shift. This finding supports a degree of nitro group planarity with the fluoranthene moiety; in agreement with the finding that planar molecules exhibit greater mutagenicity when introduced into biological systems. The structure, then, is of paramount importance in understanding the molecule’s biological effects on cells.