An Experimental and Theoretical Study of the Spin–Orbit Interaction for CO+(A 2Π3/2,1/2, v+=0–41) and O+2(X 2Π3/2,1/2g, v+=0–38)
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Ames National Laboratory is a government-owned, contractor-operated national laboratory of the U.S. Department of Energy (DOE), operated by and located on the campus of Iowa State University in Ames, Iowa.
For more than 70 years, the Ames National Laboratory has successfully partnered with Iowa State University, and is unique among the 17 DOE laboratories in that it is physically located on the campus of a major research university. Many of the scientists and administrators at the Laboratory also hold faculty positions at the University and the Laboratory has access to both undergraduate and graduate student talent.
The Department of Chemistry seeks to provide students with a foundation in the fundamentals and application of chemical theories and processes of the lab. Thus prepared they me pursue careers as teachers, industry supervisors, or research chemists in a variety of domains (governmental, academic, etc).
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The Department of Chemistry was founded in 1880.
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1880-present
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- College of Liberal Arts and Sciences (parent college)
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Abstract
Accurate spin–orbit splitting constants (Av+) for the vibrational levels v+=0–41 of CO+(A 2Π3/2,1/2) have been determined in a rotationally resolved pulsed field ionization photoelectron study. A change in slope is observed in the v+ dependence for Av+ at v+≈19–20. This observation is attributed to perturbation of the CO+(A 2Π) potential by the CO+(B 2Σ+) state. Theoretical Av+ values for CO+(A 2Π3/2,1/2, v+=0–41) have also been obtained using a newly developed ab initio computational routine for spin–orbit coupling calculations. The theoretical Av+ predictions computed using this routine are found to be in agreement with the experimental Av+ values for CO+(A 2Π3/2,1/2, v+=0–41). Similar Av+calculations obtained for O+2(X 2Π3/2,1/2g, v+=0–38) are also in accord with the recent experimental Av+ values reported by Song et al. [J. Chem. Phys. 111, 1905 (1999)].
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The following article appeared in Journal of Chemical Physics 111 (1999): 6413, and may be found at doi:10.1063/1.479941.