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.
Wang
Hailing
H
Department of Chemistry and Biochemistry, Arizona State University, Tempe, AZ 85287-1604, USA.
Steimle
Timothy C
TC
Apetrei
Cristina
C
Maier
John P
JP