The Jahn-Teller (jt) Effect in the widetilde{A} State of the Nitrate Radical NO_3

Details The Jahn-Teller (jt) Effect in the widetilde{A} State of the Nitrate Radical NO_3 The Jahn-Teller (jt) Effect in the widetilde{A} State of the Nitrate Radical NO_3

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..confewj11t&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

Computer Science

Mini-Symposium: Conical Intersections

Scientific paper

The JT effect in the widetilde{A}^2E^'' of NO_3 is poorly understood. A preliminary spectrum of the vibronically-allowed widetilde{A}←widetilde{X} transition, coupled with ab initio calculations, shows moderate JT activity in the widetilde{A} state. Vibronic bands exhibit either static or dynamic JT distortions depending on the vibrational level of the upper widetilde{A} state. The picture of the widetilde{A} state is however incomplete. For example, in the E^''⊗e^'=a_1^''⊕a_2^''⊕e^'' manifold, while the splitting would provide a direct measure of the JT strength, only the a_1^'' levels have been observed. We have gained new insight into the widetilde{A} state by examining the hot bands of NO_3 which access previously unobserved dark levels of the widetilde{A} state.

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