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• W1622973452 abstract "Spectra of the v + = 55 − 74 vibrational levels of the I(1/2u) ground electronic state and the v + = 0 − 9 levels of the II(1/2u) excited electronic state of and 84Kr–86Kr+ have been measured by pulsed-field-ionization zero-kinetic-energy photoelectron spectroscopy. The spectra were recorded following (2+1′ ) resonance-enhanced multiphoton excitation via several vibrational levels of the Rydberg state of Kr2 located below the Kr(1 S 0) + Kr*(4p55p[1/2](J = 0)) dissociation limit. A combination of these results with earlier measurements of the vibrational level structure of the I(1/2u), I(3/2u) and II(1/2u) states of was used to determine two sets of analytical potential energy curves for the first three electronic states of ungerade (u) symmetry of . The first set of curves was obtained without explicit consideration of the spin–orbit interaction by adjusting the potential parameters of three independent curves to fit the experimental data. The second set of curves was determined using a global potential model with explicit treatment of the spin–orbit interaction by adjusting the potential parameters of the electronic states and assuming an R-independent spin–orbit coupling constant. Both sets of curves reproduce the experimental observations to within 8 cm−1. Although better agreement between calculated and observed vibronic energy levels was obtained with the former set of curves, this set requires a larger number of adjustable potential parameters (up to 12) and only accounts implicitly for the spin–orbit coupling. The latter set of curves offers the advantages of a global treatment of the u states, a much reduced number of adjustable parameters (only six), an explicit treatment of the spin–orbit interaction, and is in better agreement with ab initio quantum chemical predictions in the repulsive part of the potentials." @default.
• W1622973452 created "2016-06-24" @default.
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• W1622973452 date "2005-05-10" @default.
• W1622973452 modified "2023-09-26" @default.
• W1622973452 title "Potential energy curves of diatomic molecular ions from high-resolution photoelectron spectroscopy. III. The low-lying<b><i>ungerade</i></b>states of Kr₂⁺" @default.
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• W1622973452 doi "https://doi.org/10.1080/00268970412331332088" @default.
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