par Ram, Ram;Liévin, Jacques ;Bernath, Peter
Référence The Journal of Chemical Physics, 111, 8, page (3449-3456)
Publication Publié, 1999-08
Article révisé par les pairs
Résumé : The emission spectrum of OsN has been recorded in the 3000-13000 cm -1 region using a Fourier transform spectrometer. OsN molecules were excited in an osmium hollow cathode lamp operated with neon gas and a trace of nitrogen. Six bands observed in the 8000-12 200 cm -1 region have been classified into three transitions, a 4Π 5/2-X 2Δ 5/2, b 4Φ 5/2-X 2Δ 5/2, and b 4Φ 5/2-X 2Δ 5/2 with the 0-0 band origins near 8381.7, 11 147.9, and 12 127.2 cm -1, respectively. A rotational analysis of these bands provides the following equilibrium constants for the ground electronic state: ω e = 1147.9492(77) cm -1, ω ex e=5.4603(36) cm -1, B e=0.493 381(55) cm -1, α e = 0.002753(38) cm -1, and r e = 1.618 023(91) Å. Ab initio calculations have been performed on OsN and the spectroscopic properties of the low-lying electronic states have been calculated. Our assignments are supported by these calculations. The ground state of OsN has been identified as a 2Δ i state consistent with the observations for the isoelectronic IrC molecule [Jansson et al., Chem. Phys. Lett. 4, 188 (1969); J. Mol. Spectrosc. 36, 248 (1970)]. The 1σ 22σ 21π 41δ 3σ 2 electron configuration has been proposed for the ground state and the configurations for the other low-lying electronic states have also been discussed. This work represents the first experimental or theoretical investigation of the electronic spectra of OsN. © 1999 American Institute of Physics.