Spectroscopic determination of potential energy surfaces for the out-of-plane ring vibrations of indan and related molecules in their S-0 and S-1 (Pi, Pi*) states Conference Paper uri icon


  • The laser induced fluorescence excitation spectra of jet-cooled indan and related moelcules along with their ultraviolet absorption spectra have been used to study their S1 ( ,*) excited states. Far-infrared, Raman, and dispersed fluorescence were utilized to obtain the vibrational data for the S ground states. This allowed the potential energy surfaces (PESs) of these molecules to be determined in terms of the ring-puckering and ring-flapping coordinates for both states. These PESs provide barriers to planarity and conformational structures for these bicyclic molecules. Phthalan has a barrier of 35cm-1 in S0 but no barrier for S1. Coumaran has an S0 barrier of 279 cm-1, while 1,3-benzodioxole has barriers of 171 and 264 cm-1 for S0 and S1, respectively, due to the anomeric effect. The barriers for indan are 1077 cm-1 for S0 and 698 cm-1 for S0. Ab initio calculations in general provide good barrier values for the ground state.

published proceedings


author list (cited authors)

  • Laane, J., Arp, Z., Sakurai, S., Morris, K., Meinander, N., Klots, T., ... Choo, J.

complete list of authors

  • Laane, J||Arp, Z||Sakurai, S||Morris, K||Meinander, N||Klots, T||Bondoc, E||Haller, K||Choo, J

publication date

  • December 2002