Vibrational spectra and structure of tris(8-hydroxyquinoline)aluminum(III)

The vibrational spectra of one of the most commonly used light-emitting mat erials for organic electroluminescence (EL) devices, tris(8-hydroxyquinolin e)aluminum (Alq(3),), is presented. The geometry and normal modes of fac-Al q(3) isomer in the ground state have been computed for the first time using ab initio methods (HF/6-31G*) to aid in discussion of normal-mode assignme nt. Normal inelastic scattering excited at 633 nm and low-temperature FT-Ra man in addition to the infrared spectra of this material are reported. The vibrational characterization of thin solid films of the material was attemp ted using transmission and reflection-absorption FT-IR spectroscopy (RAIRS) on smooth silver films.