Potential Energy Surfaces of Oxygen Herzberg States During Collisions With Nitrogen

Presentation Type

Poster/Portfolio

Presenter Major(s)

Chemistry

Mentor Information

George McBane, mcbaneg@gvsu.edu

Department

Chemistry

Location

Henry Hall Atrium 88

Start Date

13-4-2011 2:00 PM

End Date

13-4-2011 3:00 PM

Keywords

Environment, Physical Science

Abstract

Photodissociation of ozone in the upper atmosphere is known to produce oxygen molecules in excited electronic states known as Herzberg states. These electronically excited oxygen molecules are removed through a largely unknown process involving collisions with gaseous nitrogen, probably resulting in oxygen molecules in the ground electronic state with very large amounts of vibrational energy. Investigation into this process is conducted through exploration of the potential energy surfaces of individual oxygen and nitrogen molecules in a variety of configurations. Potential energy surfaces are generated by electronic structure calculations carried out in the MolPro program. Potential energy surfaces constructed from the electronic structure calculations and conclusions about the collision dynamics indicated by these surfaces will be presented.

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Apr 13th, 2:00 PM Apr 13th, 3:00 PM

Potential Energy Surfaces of Oxygen Herzberg States During Collisions With Nitrogen

Henry Hall Atrium 88

Photodissociation of ozone in the upper atmosphere is known to produce oxygen molecules in excited electronic states known as Herzberg states. These electronically excited oxygen molecules are removed through a largely unknown process involving collisions with gaseous nitrogen, probably resulting in oxygen molecules in the ground electronic state with very large amounts of vibrational energy. Investigation into this process is conducted through exploration of the potential energy surfaces of individual oxygen and nitrogen molecules in a variety of configurations. Potential energy surfaces are generated by electronic structure calculations carried out in the MolPro program. Potential energy surfaces constructed from the electronic structure calculations and conclusions about the collision dynamics indicated by these surfaces will be presented.