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Chemiluminescence spectra of ScO and YO: Observation and analysis of the A' /sup 2/. delta. --X /sup 2/. sigma. /sup +/ band system

Journal Article · · J. Chem. Phys.; (United States)
OSTI ID:7176354

A new band system between 6200 and 7500 A has been observed in the ''single collision'' beam--gas chemiluminescent spectrum resulting from the reactions of Sc and Y atoms with O/sub 2/. A strong, well-developed system is observed in the YO spectrum resulting from the Y--O/sub 2/ reaction. A vibrational analysis of two distinct subsystems, each consisting of double-headed bands (..delta lambda..> or =1), yields T/sub e/=14 531.2 cm/sup -1/, ..omega../sub e/'=794.O cm/sup -1/, ..omega../sub e/x/sub e/'=3.23 cm/sup -1/, ..omega../sub e/''=861.9 cm/sup -1/, ..omega../sub e/x/sub e/''=2.95 cm/sup -1/ for the lower component, and T/sub e/=14 870.4 cm/sup -1/, ..omega../sub e/'=794.9 cm/sup -1/, ..omega../sub e/'=3.3 cm/sup -1/, ..omega../sub e/''=862.1 cm/sup -1/, ..omega../sub e/x/sub e/''=3.025 cm/sup -1/ for the upper component. Semiempirical calculations predict T/sub e/=15 330.4 cm/sup -1/ for the A' /sup 2/..delta../sub r/ state of YO. Perturbation calculations predict that mixing of the A /sup 2/Pi state with the A' /sup 2/..delta.. state of YO may be as large as 3.5%. On the basis of these calculations, the new band system is attributed to the A' /sup 2/..delta..--X /sup 2/..sigma../sup +/ transition of YO. The new band system in the Sc+O/sub 2/ spectrum is weaker and not as well resolved as the YO system. However, analysis of the system, by analogy with that of YO, yields T/sub 0/=14 965.9 cm/sup -1/, ..delta..G'/sub 1;2/ =834.0 cm/sup -1/ for the ScO A' /sup 2/..delta../sub 3;2/ state, and T/sub 0/=15 072.0 cm/sup -1/, ..delta..G'/sub 1;2/=837.0 cm/sup -1/ for the ScO A' /sup 2/..delta../sub 5;2/ state. (AIP)

Research Organization:
Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139
OSTI ID:
7176354
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 65:7; ISSN JCPSA
Country of Publication:
United States
Language:
English