Recommended conventions for defining transition moments and intensity factors in diatomic molecular spectra

• Published in: Journal of molecular spectroscopy 1980-01, Vol.80 (2), p.249-256
• Main Authors: Whiting, Ellis E., Schadee, Aert, Tatum, Jeremy B., Hougen, Jon T., Nicholls, Ralph W.
• Format: Article
• Language: English
• ISSN: 0022-2852; 1096-083X
• DOI: 10.1016/0022-2852(80)90137-X

Two recommendations are made that can eliminate persistent confusion in the study of diatomic spectroscopy by providing uniform and consistent definitions of the electronic transition moments and the rotational line intensity factors. First, it is recommended that the equation for the line strength of a single rotational line be adopted to specify the relationship between the electronic transition moment and the rotational line intensity factor. Second, it is recommended that the electronic transition moment operator for perpendicular transitions be defined by ( 1 2 1 2 )(μ x ± iμ y) . The adoption of these conventions results in a value of (2 S + 1)(2 J + 1) for the sum rule of the rotational line intensity factor for Σ ± ↔ Σ ± transitions and a value of 2(2 S + 1)(2 J + 1) for the sum rule for all other spin-allowed transitions.