Energy linkage between the singlet and triplet manifolds in LaH, and observation of new low-energy states.

Autor: Mukund, Sheo, Yarlagadda, Suresh, Bhattacharyya, Soumen, Nakhate, S. G.
Předmět:
Zdroj: Journal of Chemical Physics; 12/21/2012, Vol. 137 Issue 23, p234309, 5p, 1 Diagram, 2 Charts, 1 Graph
Abstrakt: Wavelength-resolved fluorescence spectra of jet-cooled LaH were obtained from D1, E1, and 0+(3Σ-) states by exciting isolated rotational levels. The observation of a3Δ1 and a3Δ2 states at 1259.5(5) and 1646(1) cm-1, respectively, established the missing energy link between the singlet and triplet manifolds. The low-energy b3Π0,1 and B1Δ2 states predicted earlier from ab initio studies were also observed for the first time. Vibrational constants ωe = 1418(2) cm-1, ωexe = 15.6(7) cm-1 for the ground and ΔG1/2 = 1326.1(7) and 1312(1) cm-1, respectively, for the a3Δ1 and b3Π1 states were also determined. Vibrational frequencies were found to be in excellent agreement with earlier ab initio values. However, ab initio term energies and spin-orbit separation of 3Δ2-3Δ1 and 3Π1-3Π0 were found to be in poor agreement with the present observations. Also, the 3Π state that was predicted to be inverted is observed to be regular. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index