Journal of Chemical Physics, Vol.100, No.2, 945-949, 1994
Electronic-Structure of Bali .2. First Observation of the (Bali)-Li-6,7 Spectrum - Analysis of the (2)(2)Pi-)Chi(2)Sigma(+) System
The thermal emission at high temperature (1100 degrees C) of BaLi has been analyzed spectroscopically at high resolution with a Fourier transform spectrometer, Molecular emission in the infrared region is observed and is ascribed to a transition from the (2)(II)-I-3 state towards the ground state;X(2) Sigma(+) of BaLi. These states (among several others) have been predicted from ab initio calculations [see part I, A.R. Allouche and M. Aubert-Frecon, J. Chem. Phys. 100, 938 (1994)]. Very good agreement is observed between theoretical predictions and experiment for the energy of the (2)(II)-I-2 state and spectroscopic constants of both states. Both isotopic species (BaLi)-Li-7 and (BaLi)-Li-6 have been investigated and molecular parameters are derived from the analysis of the (2)(II)-I-2-->X(2) Sigma(+)(0,0) band (the one analyzable band). No irregularities appear in the rotational structure.