The strong band system at 536 nm, tentatively assigned as the Ã 1B2← X 1A1(000-000) vibronic transition, in TiO2 has been recorded at a spectral resolution of 40 MHz, both field free and in the presence of a static electric field. The Stark induced shifts were analyzed to determine the permanent electric dipole moments of 6.33 ± 0.07 D and 2.55± 0.08 D for the X 1A1 and Ã 1B2 state, respectively. The bond angle, θ, and length, RTi-O, for the Ã 1B2 state were determined to be 100.1° and 1.704 Å. The dispersed fluorescence was analyzed to determine the ν2 bending frequency, ω2 (a1), of 322 ± 6 cm-1. A molecular orbital model is used to rationalize the change in bonding upon excitation and the results compared with electronic structure predictions.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry