Published online by Cambridge University Press: 30 March 2011
The possible role of neutral PAHs as catalysts for H2 formation in theinterstellar medium is investigated by a combined experimental and density function theorystudy of the superhydrogenation of coronene (C24H12). Thecalculations suggest efficient hydrogenation of both edge and centre sites, along withcompeting abstraction reactions to form H2 in a series of catalytic cycles.Scanning tunneling microscopy and thermal desorption measurements have been used toprovide direct evidence of the formation of superhydrogenated coronene as a result ofexposure to D atoms. Lower limit estimates for the cross-sections of1.8 × 10-17, 5.5 × 10-18 and 1.1 × 10-18 cm2for the formation of singly, doubly and triply hydrogenated coronene are derived. Theresults suggest that superhydrogenated PAHs may play an important role in H2formation in the ISM.