INSIGHT INTO THE JAHN-TELLER EFFECT IN THE NITRATE RADICAL VIA THE A-X HOT BANDS
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Publisher:Ohio State University
Elucidation of the electronic states of the nitrate radical NO$_3$ remains an interesting puzzle for experimentalists and theorists alike. The A$^2$E" state is Jahn-Teller active and is pseudo-Jahn-Teller coupled to the ground X$^2$A$_2$' and excited B$^2$E' states. Analysis of the vibronic-allowed A-X transition spectrum shows vibronic bands exhibiting both static and dynamic distortions depending on the vibrational level of the upper A state. In the E"xe'=a$_1$"+a$_2$"+e" manifold, only the a$_1$" levels are accessible under ambient temperature experiments. We have gained new insight into the A state by examining the hot bands of NO$_3$, as previously dark levels of the A state become accessible. We present analysis of our hot band spectrum along with calculations of the upper A state levels.
Author Institution: Arthur Amos Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 91125 ; Department of Chemistry, University of Texas at Austin, Austin, TX 78712;
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