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a further study of the products of sc and dioxygen reactionsThe products of the reaction of Sc and dioxygen have been reinvestigated. By adding the electron-trapping molecule CC14, additional information about the IR spectra has been obtained, as well as the observation of new bands. New ab initio calculations are also performed on possible products of the Sc plus O2 reaction. The previously observed band at 722.5 per cm is assigned as the b2 mode of ScO2(-). Bands arising from ScO(+), Sc(O2)(+), and(O2)ScO are also assigned. We are still unable to assign any bands to OScO. The problems associated with the computational study of ScO2 are discussed.
Document ID
20020073533
Document Type
Preprint (Draft being sent to journal)
Authors
Bauschlicher, Charles W., Jr.
(NASA Ames Research Center Moffett Field, CA United States)
Zhou, Mingfei
(Virginia Univ. Charlottesville, VA United States)
Andrews, Lester
(Virginia Univ. Charlottesville, VA United States)
Johnson, J. R. Tobias
(Gothenburg Univ. Sweden)
Panas, Itai
(Gothenburg Univ. Sweden)
Snis, Anders
(Gothenburg Univ. Sweden)
Roos, Bjoern O.
(Lund Univ. Sweden)
Arnold, James O.
Date Acquired
August 20, 2013
Publication Date
January 1, 1999
Subject Category
Inorganic, Organic and Physical Chemistry
Funding Number(s)
PROJECT: RTOP 519-40-12
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.