Calculation of improved12C16O molecular constants and rotational-vibrational transition frequencies

Abstract

We report the calculation of12C16O molecular constants and rotational-vibrational transition frequencies of the electronic ground state with improved accuracy. It is based on a recent paper containing results of accurate frequency measurements of a few CO lines. By using these data new rotational constants have been determined, they are then utilized to calculate band center frequencies of four bands. Futhermore, four vibrational constants were computed by means of the calculated band center frequencies. Tables of band center frequencies, andP andR branch transition frequencies are given for the bands 1–0 to 20–19. It was not possible to obtain standard deviations of line frequencies. It is shown, however, that the best molecular constants published lead to line frequencies with deviations of a few hundred MHz. Line frequencies calculated with the new molecular constants coincide exactly with frequencies measured. Finally, it is shown that there are pairs of transitions whose frequencies are close together. By measuring frequency differences of a number of such pairs it should be possible to further improve CO molecular constants.