STUDIES OF THE ELECTRONIC STATES OF THE BAF MOLECULE .2. THE 5D(V = 0, 1, 2) STATES

This paper is concerned with the study of the 5d states, A’2, A2Π and B2Σ+, (v = 0, 1, 2). It is shown that a complete interpretation of the spectra involving the 5d (v = 0, 1 and 2) states requires a 15 x 15 representation to take account of the spin-uncoupling interaction between A’25/2 (v) and A’23/2 (v + 1). In the final analysis, the wavenumbers of the 4417 observed lines are fitted simultaneously and reproduced to within a standard deviation of 0.004cm-1. Deperturbed energies and rotational constants for the v = 0, 1 and 2 levels of the 5d states are obtained. Values of the spin-orbit and rotational interaction constants within this group of 5d levels and of the spin-uncoupling constants B01 and B12 are determined. The implications of the results for the nature of the binding in the 5d states are briefly discussed. © 1990 Taylor & Francis Ltd.