Characterization of homonuclear diatomic ions by semi-empirical Morse potential energy curves.: 3. Rare-gas positive ions revisited

The Morse parameters for all the Rg2+ and ground- and D-state curves for the X2− are reported. Based on the isoelectronic equivalence and new literature data for the ground states of I2−, Ne2+ and Ar2+ [Ramos et al., Phys. Rev. A 56 (1997) 1913; Signorell et al., J. Chem. Phys. 107 (1997) 10819; Zanni et al., J. Chem. Phys. 107 (1997) 7613] the literature high-resolution photoelectron spectra [Hall et al., J. Phys. B 28 (1995) 2435] can be analyzed to give accurate D0, υe and some re for all the states. For some curves, the absorption spectra must be used. To do this the selected values of ground-state Rg2+ parameters are: Ne2+ (1.28±0.01 eV, 175±2 pm, 569±4 cm−1); Ar2+ (1.314±0.001 eV, 256±2 pm, 307±1 cm−1); Kr2+ (1.18±0.01 eV, 272±2 pm, 162±2 cm−1); Xe2+ (1.007±0.005 eV, 308.5±2 pm, 128±5 cm−1).