Interpretation of the predissociation of the CO Rydberg W (1)Π (v = 1) level.

Abstract

With the goal to interpret the experimental results obtained quite recently by Heays et al. [J. Chem. Phys. 141, 144311 (2014)] on the predissociation of the Rydberg W (1)Π (v = 1) vibrational level of the CO molecule, we report herein ab initio potential energy curves of some of its valence and Rydberg states of both (1)Π and (3)Π symmetry. Our results confirm that the above vibrational level is perturbed by a new electronic (1)Π state not observed until now. They correctly reproduce the linewidths of predissociation of the two interacting levels.