par Ram, Ram;Liévin, Jacques ;Bernath, Peter ;Davis, Sumner
Référence Journal of Molecular Spectroscopy, 217, 2, page (186-194)
Publication Publié, 2003-02
Article révisé par les pairs
Résumé : The emission spectrum of VCl has been investigated at high resolution in the 3000-19 400 cm-1 region using a Fourier transform spectrometer. The bands were excited in a high temperature carbon tube furnace by the reaction of vanadium metal vapor and a trace of BCl3 as well as in a microwave discharge lamp by the reaction of VOCl3 vapor with active nitrogen. The spectra were recorded using the Fourier transform spectrometer associated with the McMath-Pierce telescope of the National Solar Observatory at Kitt Peak. The analysis of the E5 Δ-X5 Δ system of VCl (previously labeled as [7.0]5 Δ-X5Δ) has been extended by analyzing the rotational structure of some additional bands. A rotational analysis of the 5Δ1-5Δ1, 5Δ3-5Δ3, and 5Δ4-5Δ4 subbands of the 0-2, 0-1, 0-0, and 1-0 bands, and the 5Δ2 - 5Δ2 subband of the 0-1 and 0-0 bands has been obtained and molecular constants have been extracted. The 5Δ0± - 5Δ0± subband was not identified in any of the assigned bands. The spectroscopic properties of the low-lying electronic states of VCl have been predicted by CASSCF/CMRCI ab initio calculations and the experimental assignments are supported by the ab initio results.