Updated potential energy function of the Rb2 a3Σu+ state in the attractive and repulsive regions determined from its joint analysis with the 23Π0g state.

Autor:	Guan, Y., Han, X., Yang, J., Zhou, Z., Dai, X., Ahmed, E. H., Lyyra, A. M., Magnier, S., Ivanov, V. S., Skublov, A. S., Sovkov, V. B.
Předmět:	POTENTIAL energy surfaces FLUORESCENCE spectroscopy ELECTRON nuclear double resonance VIBRATIONAL spectra AB initio quantum chemistry methods MATHEMATICAL models
Zdroj:	Journal of Chemical Physics; Oct2013, Vol. 139 Issue 14, p144303, 9p, 5 Charts, 9 Graphs
Abstrakt:	We report new experimental data for the Rb2 a3Σu+ and 23Π0g states obtained using the Perturbation Facilitated Infrared-Infrared Double Resonance (PFIIDR) technique. The results include ro-vibrational term values of the 23Π0g state and resolved fluorescence spectra of the 23Π0g→a3Σu+ transitions for a wide range of rotational and vibrational quantum numbers. An analysis of these data confirms the initial assignment of the transitions to the a3Σu+ state reported in our earlier work [B. Beser, V. B. Sovkov, J. Bai, E. H. Ahmed, C. C. Tsai, F. Xie, L. Li, V. S. Ivanov, and A. M. Lyyra, J. Chem. Phys. 131, 094505 (2009)]. The potential energy functions of the Rb2 a3Σu+ and 23Π0g states are derived from a simultaneous fit of the available experimental data. The improved potential function of the Rb2 a3Σu+ state spans both the attractive and repulsive regions starting with internuclear distance R ∼ 4.5 Å. [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
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