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

Autor: Sumner P. Davis, Kei-ichi Namiki, Haruhiko Ito
Rok vydání: 2003
Předmět:
Zdroj: Journal of Molecular Spectroscopy. 217:173-180
ISSN: 0022-2852
DOI: 10.1016/s0022-2852(02)00027-9
Popis: Transition wavenumbers of several vibronic bands associated with v′=0 to 5 for the C 3 Δ –X 3 Δ system were analyzed to determine the molecular parameters for the C 3 Δ state. It was found that the Ω=3 spin sublevel in the C 3 Δ , v′=2 to 4 levels is perturbed by the state having the 1 Φ symmetry via the spin–orbit interaction. It was also found that the Ω=1 sublevel in the C 3 Δ , v′=4 and 5 levels is perturbed by the state having the 1 Π symmetry via the spin–orbit interaction. Taking into account these perturbations, the C 3 Δ –X 3 Δ , C 3 Δ –a 1 Δ , and c 1 Φ –a 1 Δ systems were simultaneously analyzed, from which the experimentally unknown 1 Π state lying near 3 eV on the X 3 Δ state was found. The Rydberg–Klein–Rees (RKR) potentials for the C 3 Δ and c 1 Φ states were evaluated using the newly determined rotational and vibrational parameters. Using these potentials, the spin–orbit interaction A(r) of the C 3 Δ state, and the spin–orbit interaction Hsoel(r), between the C 3 Δ and c 1 Φ states, were determined as functions of the internuclear distance r. The electronic structures of the C 3 Δ and c 1 Φ states are discussed.
Databáze: OpenAIRE