DETERMINATION OF VIBRONIC DEGENERACY LIFTING AND JAHN-TELLER DISTORTION IN ASYMMETRICALLY DEUTERATED CYCLOPENTADIENYL RADICALS BY HIGH RESOLUTION LASER SPECTROSCOPY

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1991

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Ohio State University

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Abstract

The lifting of vibronic degeneracy in cyclopentadienyl radical upon asymmetric deuteration has been studied using high resolution laser spectroscopy. Both the magnitude of the splitting and the ordering of the symmetric and antisymmetric components were determined. The splittings in $C_{5}H_{4}D$ and $C_{5}HD_{4}$ were found to have similar magnitude (about $9 cm^{-1}$) but opposite ordering. Depending on the orbital symmetry, the structure of the split levels undergoes substantial elongation of compression from the regular pentagon structure. The degree of distortion was precisely measured and related to the Jahn-Teller effect in the molecule.

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Author Institution: Laser Spectroscopy Facility, Department of Chemistry, The Ohio State University

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