The Visible Spectrum of Titanium Dioxide

Computer Science

Scientific paper

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Mini-Symposium: Metal Containing Molecules

Scientific paper

Bulk TiO2 is a widely used photo-activated catalytic material, yet poorly understood. Much of the motivation for studies of molecular TiO2 is the observation that there is a smooth correlation of the molecular electronic states to the band gap of the bulk. The field-free energy levels of the ground state of the monomer have been fully characterized by microwave spectroscopy. Here we report on the visible spectrum in the region between 18200 cm-1 to 18750 cm-1 of a cold molecular beam sample of TiO2 using laser induced fluorescence detection and mass-selected REMPI. Bands at 18240 cm-1, 18411 cm-1 and 18470 cm-1 were recorded at a resolution of 40 MHz and rotationally analyzed. The dispersed fluorescence of 18411 cm-1 and 18470 cm-1 bands were analyzed to produce a set of vibrational parameters for the ground state. The optical Stark spectra of the 18411 cm-1 and 18470 cm-1 bands were recorded and analyzed to determine permanent electric dipole moments and compared with the results for the band at 18655 cm-1.
H.J. Zhai and L.-S. Wang JACS 129 3022, 2007.
S.Brunken; H. S. P. Muller; K.M. Menten; M. C. McCarthy and P. Thaddeus Ap. J. 676 1367, 2008.
H.Wang; T.C. Steimle; C. Apetrei and J.P. Maier PCCP 11 2649, 2008.

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