The ground state of interstellar criegee biradical molecules ( H2CO2) have been examined using ab initio electronic structure calculations at the B3LYP level with different basis sets using Density Functional Theory (DFT). The geometries have been optimized up through the 6-311++G(3df,3pd) level and vibrational frequencies calculated using the 6++G(3df,3pd0 basis set. The energetic properties of Criegee biradical molecules (H2CO2), systems are also examined. The new molecules could help to reduce the global warming by breaking down nitrogen dioxide and sulfur dioxide in the atmosphere to form sulphates and nitrates which work as seeds for clouds.

Theoretical study of criegee biradical molecule in the atmosphere

249th National Meeting (2015)

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