Dispersed fluorescence spectra of chlorobenzene

The vibronic spectra of the S-0 and S-1 state of chlorobenzene have been analyzed via laser induced fluorescence spectroscopy. The ground state frequencies were determined by dispersed fluorescence and comparison with ab initio calculations on the MP2 and B3LYP (6-311G(d,p)) level. Additional complete active space self-consistent field calculations (6-311G++(d,p)) have been carried out for theoretical description of the S1 state. (C) 2001 Elsevier Science B.V. All rights reserved.