Franck-Condon factors,r-centroids and electronic transition moment variation with internuclear distance of the A¹∑-X¹∑ band system of BaO using RKR potentials

Abstract

An attempt has been made to study the applicability of Morse and RKR potentials to the transition (A¹∑-X¹∑) of BaO band system, from various aspects. For this purpose, theoretically computed Franck-Condon (FC) factors andr-centroids ( r̅_v'v'') with the use of both Morse and RKR potentials have been employed to derive R_e(r), a relation between R_e the electronic transition moment, and r, the internuclear separation, both by linear and quadratic fitting. Using these R_e(r) relations, smoothed Condon (P_v'v'') factors have been arrived at and compared with their values before such improvement and also with the experimental band strengths (I/v⁴). Vibrational temperature of the source has been determined with R_e constant and with R_e as variable in r. In the light of all these results, the efficacy of Morse potential relative to RKR one has been discussed.