Article ID Journal Published Year Pages File Type
5385175 Chemical Physics Letters 2010 5 Pages PDF
Abstract
►The reaction mechanism of CO2 with O3 on the singlet potential energy surface has been investigated at the CBS-QB3//B3LYP/6-311++G(3df, 3pd) level. ►The four different structures have been optimized for O4 (O4(C2h), O4(C2V), O4(D2h) and O4(D3h)). ►There is no favorable pathway for the formation of O4(C2h), O4(C2V), O4(D2h) and O4(D3h) in the reaction of CO2 + O3.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical study on the formation of tetraoxygen conformational isomerism in the CO2 with O3 reaction
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