TheA¹Π ∼D¹Δ rotation-electronic interaction in CO

Abstract

All available experimental data pertinent to the A 1H (v = 0~) and D 1A state of CO have been used to derive five independent values for the rotationelectronic interaction parameter b(A ~ D). The experimental values concern a narrow R centroid region (1.21 < R < 1-32/~). The mean value b(A ~ D)= 0.12 ___ 0-01 is much smaller than the value (0.48) predicted by ab initio SCFCI calculations which have been carried out for several internuclear distances. The experimental and calculated values for the A 1H ~ 1137-and a3H ~ a'3E +, e aZ -, d aA rotation-electronic perturbations available in the literature are also discussed.

First Analysis of the 1–v″ Progression of the Ångström (B1Σ+–A1Π) Band System in the Rare 13C17O Isotopologue

“…The perturbations of the rotational structure are observed practically for each vibrational level of the A 1 Π state. The perturbations of the state under consideration in the 12 C 16 O principal isotopologue were analyzed and described many times. ,,,,− ,− Systematic classification of the perturbations appearing in this state in the 12 C 16 O molecule was carried out by Krupenie . Simmons et al made a critical analysis of this study as well as completed it.…”

High-resolution Fourier-transform spectroscopy and deperturbation analysis of the A1Π(v = 1) level in 12C18O

“…The A 1 electronic state of carbon monoxide is extensively perturbed in all isotopologues as a result of interactions with several electronic states: homogeneous spin-orbit interactions with the a´3 + , e 3 − , d 3 triplet states, and heterogeneous L -uncoupling rotation-electronic interactions with the I 1 − and D 1 singlet states [39,[60][61][62] .…”