Abstract
| - The electronic spectrum of GeS has been studied by using ab initio based multireference configurationinteraction calculations which include relativistic effective core potentials of Ge and S atoms. Potential-energy curves of 27 Λ-S states of GeS correlating with two dissociation limits have been computed.Spectroscopic constants of bound states are computed and compared with some of the observed states suchas XΣ+, a3Σ+, b3Π, A1Π, and E1Σ+. The ground state of GeS is composed of two dominant configurations:...σπ4 and ...σ2ππ* with re = 2.039 Å and ωe = 549 cm-1, which compare well with the observed values.The ground-state dissociation energy of GeS is also estimated. The observed E state is assigned to 21Σ+.Effects of the spin−orbit coupling have been explored on 18 Λ-S states all of which converge with thelowest dissociation limit 3Pg(Ge) + 3Pg(S). Potential-energy curves of all 50 Ω states arising from the spin−orbit interactions in these Λ-S states are computed. Transition probabilities of some dipole-allowed transitionsare estimated. Transitions such as b3Π0+−X1and b3Π1−X1which are analogous to the Cameronbands of the isovalent CO are investigated. The observed a3−X1transition of GeS is also studied.Radiative lifetimes of A1Π1, E1, a3, b3Π0+, b3Π1, and some other components are estimated.
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