Cl2O4 in the Stratosphere
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Physical chemistry is often perceived as one big collection of derivations with very little connection with reality. This is not really the case because mathematical models often can be applied to help us better understand real phenomena. An example is research on the physical chemistry of the atmosphere that led to the1995 Nobel Prize in Chemistry for Sherwood Rowland, Mario Molina, and Paul Crutzen. Their pioneering calculations on the chemical mechanisms that affect the stratospheric ozone layer and subsequent work by several researchers have helped us realize that man-made chemicals can have serious effects on the earth's atmosphere.
The depletion of ozone in the stratosphere is caused chiefly by ozone reacting with chlorine and bromine from industrially manufactured gases. Several small chlorine oxide molecules are involved in the catalytic cycles that lead to the destruction of ozone. In this project we will use computational chemistry to investigate a larger chlorine oxide, Cl2O4. To the right you have a collection of Web links for the project. Start with the Scenario link and proceed to build, along with your colleagues, a better understanding of the atmospheric implications of Cl2O4.
Week 2: Ab Initio Calculations