J. Phys. IV France
Volume 124, Mai 2005
Page(s) 229 - 232

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

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 $^3\Sigma^{+}$.

© EDP Sciences 2005