The deperturbation analysis of the system of TiO: new state near 3eV

The electronic transition moment function for the system of TiO

“…; were evaluated from the Rydberg-Klein-Rees (RKR) potentials for the X 3 D and C 3 D states [15,21]. The observed intensity ratios were analyzed using the evaluated matrix elements and the quoted transition wavenumbers [15]. For the extension of the region of r, the previous emission data [14] were simultaneously analyzed.…”

“…(1) and (2) is substituted by three for the analysis of the previous data [14]. Holding r 0 fixed to the r-centroid for the (0; 0) band ð¼ 1:65869 A) [15], the r-dependence of R e ðrÞ was determined as R e ðrÞ / f1 þ 21:4ð42Þðr À r 0 Þ 2 À 147ð34Þðr À r 0 Þ 3 g: ð5Þ…”

“…The most likely defect in the model is three-fold. First, the intensity borrowing from the c 1 U state via a large spin-orbit perturbation between the C 3 D 3 and c 1 U sublevels [15,26] would hamper the accurate evaluation of the emission intensity. Indeed, Linton and Broida [26] observed that the intensity ratio between the C 3 D-X 3 D and c 1 U-a 1 D transitions was sensitively dependent on the pressure of Ar, accounting for the strong correlation between these intensities in terms of an energy transfer through the spin-orbit mixing.…”

“…However, the analysis has not yet been made owing to limited knowledge of relative values of R e ðrÞ (1.5913 A 6 r 6 1:7121 A) [12][13][14]. For the analysis of s v 0 for v 0 ¼ 0 and 1 [11], the region of r for R e ðrÞ needs to be extended up to 1.8026 A in light of Franck-Condon factors [15]. Sometime ago, R e ðrÞ for the (2; 0) band, R e ð2; 0Þ, was derived from the intensity for the C 3 D-X 3 D transition relative to that for the c 1 U-a 1 D transition [16].…”

“…The global analysis of the present and previous [14] distributions and the radiative lifetimes [11] was made from which the absolute R e ðrÞ function was precisely determined. The derived values of R e ðrÞ were combined with those for the B 3 P-X 3 D transition [7], the hyperfine coupling constants of the X 3 D state [20], and the spinorbit coupling constants of the X 3 D [21], B 3 P [22,23], and C 3 D [15] states to discuss the orbital nature of the unpaired electrons.…”