A further study of the products of scandium and dioxygen reactions

The products of the reaction of Sc and dioxygen have been reinvestigated. B y adding the electron-trapping molecule CCl4 additional information about t he IR spectra has been obtained, as well as the observation of new bands. N ew ab initio calculations are also performed on possible products of the Sc plus O-2 reaction. The previously observed band at 722.5 cm(-1) is assigne d as the b(2) mode of ScO2-. Bands arising from ScO+, Sc(O-2)(+), and(O-2)S cO are also assigned. We are still unable to assign any bands to OScO. The problems associated with the computational study of ScO2 are discussed.