Electronic structure of BaLi. II. First observation of the Ba6,7Li spectrum: Analysis of the (2)2Pgr;rarr;Xthinsp;2Sgr;+system

摘要

The thermal emission at high temperature (1100thinsp;deg;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)2Pgr; state towards the ground stateXthinsp;2Sgr;+of BaLi. These states (among several others) have been predicted fromabinitiocalculations lsqb;see part I, A. R. Allouche and M. Auberthyphen;Freacute;con, J. Chem. Phys.100, 938 (1994)rsqb;. Very good agreement is observed between theoretical predictions and experiment for the energy of the (2)2Pgr; state and spectroscopic constants of both states. Both isotopic species Ba7Li and Ba6Li have been investigated and molecular parameters are derived from the analysis of the (2)2Pgr;rarr;Xthinsp;2Sgr;+(0,0) band (the one analyzable band). No irregularities appear in the rotational structure.