|THEORETICAL CHEMISTRY GROUP|
Non-alternant polycyclic aromatic hydrocarbons (PAHs) are of interest both in fundamental and applied sciences. This is exemplified by the fact that various (non)-alternant PAHs are identified as ubiquitous combustion effluents with genotoxic properties. In addition ionized derivatives of (non)-alternant PAHs are frequently proposed as the carrier for diffused interstellar bands and as precursors for fullerenes under flame conditions. In recent years a variety of (non)-alternant PAHs containing externally fused cyclopenta moieties (CP-PAHs) containing up to 60 carbon atoms, which were identified or proposed as abundant combustion effluents, have become accessible. Their availability enabled a systematic study of their physico-chemical, photophysical and biological properties. Both their magnetic (H NMR) and optical properties (UV/Vis absorption and excitation/emission spectroscopy) have shown that the number as well as the topology of the cyclopenta (CP-) moieties along the central PAH core has a profound influence.