Characterization of the X[combining tilde] (1)A(1) and A (1)B(2) electronic states of titanium dioxide, TiO(2).
The strong band system at 536 nm, tentatively assigned as the A (1)B(2)<-- X[combining tilde] (1)A(1)(000-000) vibronic transition, in TiO(2) 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[combining tilde] (1)A(1) and A (1)B(2) state, respectively. The bond angle, theta, and length, R(Ti-O), for the A (1)B(2) state were determined to be 100.1 degrees and 1.704 A. The dispersed fluorescence was analyzed to determine the nu(2) bending frequency, omega(2) (a(1)), 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.
Department of Chemistry and Biochemistry, Arizona State University, Tempe, AZ 85287-1604, USA.
Hailing
H
Wang
Timothy C
TC
Steimle
Cristina
C
Apetrei
John P
JP
Maier