A Theoretical Study of Atmospheric HOOX (X = Hydrogen, Fluorine, Chlorine, Bromium) Species

Adrienne King, Tennessee State University

Abstract

Halogen-containing species have been found to be very effective in depleting the ozone layer in the stratosphere. In this study, the HOOX(X=H, F, Cl, Br) species are explored to determine their equilibrium geometries, vibrational frequencies, and relative energies. The lowest energy structures are the HOOX peroxide for us. It is determined that the peroxides become thermodynamically destabilized due to substitution by higher halogens. Due to the thermal stability of HOOBr, it is likely that they may play roles in HO-X/BrO-X cross-section. ^

Subject Area

Atmospheric Chemistry

Recommended Citation

Adrienne King, "A Theoretical Study of Atmospheric HOOX (X = Hydrogen, Fluorine, Chlorine, Bromium) Species" (2012). ETD Collection for Tennessee State University. Paper AAI1510435.
http://digitalscholarship.tnstate.edu/dissertations/AAI1510435

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