Theoretical electronic structure of the aluminium monoiodide molecule

Y. Hamadé; F. Taher-Mansour

doi:doi:10.1051/jp4:2005124033

Issue		J. Phys. IV France Volume 124, Mai 2005


Page(s)		229 - 232
DOI		https://doi.org/10.1051/jp4:2005124033

J. Phys. IV France 124 (2005) 229-232
DOI: 10.1051/jp4:2005124033

Theoretical electronic structure of the aluminium monoiodide molecule

Y. Hamadé¹ and F. Taher-Mansour²

¹ Lebanese University, Faculty of Sciences I, Haddath, Lebanon
² Lebanese University, Faculty of Engineering III, Airport Road, Beirut, Lebanon

Abstract
Accurate theoretical spectroscopic constants and potential energy curves are obtained for the ground state ${\rm X}$ 1 $\Sigma^{+}$ and the low-lying electronic states ${\rm A}$ 1 $\Pi$ , a $^3\Pi$ and b $^3\Sigma^{+}$ of AlI molecule. The calculated values of Te, $\omega$ e and re of the first three states are compatible with the experimental results. An ordering of states is represented for the lowest predicted singlet and triplet states. These results provide a big support to determine the analogy in the ordering of electronic states in AlF, AlCl, AlBr and AlI respectively at lower energies. These theoretical results characterize a set of electronic singlet and triplet states and identify for the first time the unobserved electronic state b $^3\Sigma^{+}$ .