Electronic spectra and photophysics of the two stable conformers of anthracene dimer: evaluation of an ab initio structure prediction

It is shown that the spectral features and excited-state dynamics of the two Van der Waals dimers of anthracene, generated by supersonic free expansion, can be accounted for if the dimers have the crossed (D-2d) and the parallel-displaced (C-2h) structures predicted by an ab initio calculation with MP2 correlation. (C) 2000 Elsevier Science B.V. All rights reserved.