Absorption and emission spectroscopy of matrix-isolated benzo[g,h,i]perylene: An experimental and theoretical study for astrochemical applications

The absorption and emission spectra of benzo[g,h,i]perylene, a six ring pol ycyclic aromatic hydrocarbon molecule (C22H12), embedded in a rare gas matr ix are reported. Time dependent emission shows that this molecule exhibits sharp phosphorescence in the red. Supporting theoretical calculations using the recently developed time-dependent density-functional response theory f ormalism (TD-DFRT) allow a tentative assignment for the observed transition s. The astrochemical significance of the results is briefly discussed. (C) 2001 American Institute of Physics.