Franck-Condon factors,r-centroids and electronic transition moment variation with internuclear distance of B¹∑-X¹∑ band system of BeO using RKR potential

Abstract

The applicability of RKR-the true potential in comparison to that of Morse potential, has been tested for the transition (B¹∑-X¹∑) of BeO band system through various tests. The expression R_e(r), the electronic transition moment variation with internuclear distancer, using the Franck-Condon (FC) factors and r-centroids (r̅_v'v'') of the true potential has been derived and evaluated for both linear and quadratic fitting. This has further been used to calculate the smoothed Condon factor P_v'v'' and the ratio β(=I/v⁴/P_v'v'') representing its comparison with experimental band strengths (I/v⁴). Through the comparative study of such values, viz.P'^s_v'v'''S, β's and vibrational temperatures deduced both under constancy of R_e and the variation of R_e with r, the efficacy of true potential in relation to that of Morse potential has been discussed.