Interpretation of the predissociation of the CO Rydberg W {sup 1}Π (v = 1) level

Journal Article · Thu Apr 07 00:00:00 EDT 2016 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4945117· OSTI ID:22657884

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 {sup 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 {sup 1}Π and {sup 3}Π symmetry. Our results confirm that the above vibrational level is perturbed by a new electronic {sup 1}Π state not observed until now. They correctly reproduce the linewidths of predissociation of the two interacting levels.

• OSTI ID: 22657884
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 13 Vol. 144; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
97 MATHEMATICS AND COMPUTING
COMPUTERIZED SIMULATION
EXPERIMENTAL DATA
LINE WIDTHS
POTENTIAL ENERGY
PREDISSOCIATION
RYDBERG STATES