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Published online by Cambridge University Press: 01 February 2008
Dehydrogenated coronene molecules have been proposed as the source of the UV-bump in the interstellar extinction curve as well as of some of the diffuse interstellar bands (DIBs). To test this hypothesis we have recently undertaken a combined (a) modelling, and (b) observational work on the subject. (a) In the framework of a global approach to the photophysics of a PAH–like species in space, we used combined theoretical calculated properties, obtained with (time–dependent) density functional theory, and a Monte–Carlo model simulating the time evolution of the population of levels of a given molecule, to obtain the detailed ro–vibrational spectral structure of selected electronic transitions. (b) From the observational point of view, we compare our predictions with observations of the well–known λ6284 and λ5780 DIBs.