Fourier transform spectroscopy of NbS
2005 (English)In: Journal of Molecular Spectroscopy, ISSN 0022-2852, E-ISSN 1096-083X, Vol. 229, no 1, 31-38 p.Article in journal (Refereed) Published
Emission bands attributed to the NbS radical have been observed in the near infrared and visible regions with FTS techniques using an electrodeless 2450 MHz discharge as a source. Transitions within the doublet and quartet manifolds were recorded at high resolution. The present paper gives the first rotational analysis of this molecule. Numerous bands within the doublet and quartet manifolds have been analyzed, resulting in the characterization of seven different electronic states, three in the doublet and four in the quartet manifold. The states have been labeled in analogy with NbO. The analyzed electronic states are: X(4)Sigma(-), C(4)Sigma(-), A'(4)Phi, D(4)Delta, a(2)Delta, c(2)Pi, and e(2)Phi. Four additional substates in the doublet manifold have also been analyzed. In all, 27 vibrational sublevels have been included in the analysis, the total number of rotational lines being about 18000. The positions of the analyzed transitions are: C(4)Sigma(-) --> X(4)Sigma(-) near 15670 cm(-1), D(4)Delta --> A'(4)Phi near 7740 cm(-1), c(2)Pi --> a(2)Delta near 5850 cm(-1) and e(2)Phi --> a(2)Delta near 8500 cm(-1). The overall picture is consistent with the corresponding analysis of NbO. However, three energy separations could not be derived from the experimental data in the case of NbS, i.e., the a(2)Delta - X(4)Sigma(-), A'(4)Phi - X(4)Sigma(-) and a(2)Delta(5/2) - a(2)Delta(3/2) splintings. These were set to 4992, 5490, and 992 cm(-1), respectively, from preliminary ab initio calculations. In this way, a tentative energy level scheme could be drawn. The first order spin-orbit parameter of the A'(4)Phi state was indeterminable from the experimental data and was set to the value 170 cm(-1), derived from the same calculations.
Place, publisher, year, edition, pages
2005. Vol. 229, no 1, 31-38 p.
niobium sulphide, niobium monosulphide, Fourier transform spectroscopy, transition metal compounds, Loomis-Wood methods
IdentifiersURN: urn:nbn:se:kth:diva-38452DOI: 10.1016/j.jms.2004.08.009ISI: 000226179800004ScopusID: 2-s2.0-9644260656OAI: oai:DiVA.org:kth-38452DiVA: diva2:436854
QC 201108252011-08-252011-08-252011-08-25Bibliographically approved