JAHN-TELLER ANALYSIS OF THE VIBRONIC STRUCTURE OF THE $\tilde{X}^{2}E^{\prime\prime}_{1}$ STATE IN THE CYCLOPENTADIENYL RADICAL

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Title: JAHN-TELLER ANALYSIS OF THE VIBRONIC STRUCTURE OF THE $\tilde{X}^{2}E^{\prime\prime}_{1}$ STATE IN THE CYCLOPENTADIENYL RADICAL
Creators: Applegate, Brian E.; Bezant, Andrew J.; Miller, Terry A.; Barckholtz, Timothy A.
Issue Date: 2000
Publisher: Ohio State University
Abstract: While room temperature wavelength resolved emission spectra of the $\tilde{A}^{2}A^{\prime\prime}_{2}-\tilde{X}^{2}E^{\prime\prime}_{1}$ transition have existed for nearly 20 $years^{a}$, the vibrational assignment of these spectra has remained elusive. The major difficulty with the vibrational analysis is attributable to complications arising from the dynamic Jahn-Teller effect in the $\tilde{X}$ state. Newly obtained jet-cooled laser excited wavelength resolved fluorescence emmision spectra, in conjunction with $recent ^{b}$ calculations aimed at predicting the relevant Jahn-Teller constants have now made the complete analysis of the available spectral data possible. The transitions involving the Jahn-Teller active vibrations have been analyzed in terms of the three lowest energy harmonic vibrations of the appropriate symmetry($e^{\prime}_{2}$), assuming only linear Jahn-Teller interactions. Additional features of the spectrum may be described in terms of the fundamentals, overtones, and combination bands of the non-John-Teller active vibrations as well as combinations involving the Jahn-Teller active modes.
Description: $^{a}$Nelson H. H.: Pasternack L.: Mc Donald J.R. Chem. Phys. 1983, 74, 227. $^{b}$Applegate B.E.: Barekholtz T. A.: Miller T.A. to be published
Author Institution: Dept. of Chemistry Laser Spectroscopy Facility, The Ohio State University; Dept. of Chemistry Laser Spectroscopy Facility, The Ohio State University, Dept. of Chemistry, Laser Spectroscopy Facility, 120 W. 18th Avenue, Columbus, Ohio 43210;; JILA, National Institute of Standards and Technology and The Department of Chemistry and Biochemistry, University of Colorado Boulder
URI: http://hdl.handle.net/1811/19750
Other Identifiers: 2000-RD-04
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