Line intensities in vibration-rotation bands of diatomic molecules

Abstract

The expression for the transition probability for a rotating Morse or Pekeris oscillator obtained by Herman and Rubin has been simplified considerably for numerical calculation. The details of the simplification are presented. In its reduced form, the transition probability consists of the product of the transition probability of a non-rotating Morse oscillator obtained by Heaps and Herzberg and a rotational correction factor which is termed the F-factor. We have calculated F-factors for the 1-0, 2-1, 2-0, and 3-0 vibration-rotation bands of HF, HCl, and CO. The F-factors for the fundamental band of a rotating Morse oscillator are shown to be in excellent agreement with the corresponding F-factors for a rotating anharmonic oscillator obtained by Herman and Wallis.