VIBRATIONAL ANALYSIS OF THE FLUOROBENZENE 2644 {\AA} BAND SYSTEM

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1977

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Ohio State University

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Abstract

A partial vibrational analysis of the 2644 {\AA} electronic band system ($1^{1}B_{2} \leftarrow 1^{1}A1$) in three isotopes of fluorobenaene will be presented and results will be compared with the early work of $Wollman.^{1}$ The 2644 {\AA} system is dominated by B-type contour bands based on an Intense origin. A-type contour bands, representative of a moderately strong Herzberg-Teller subsystem, are found and principally involve upper and lower state $b_{2}$ vibrations. Ground ($1^{1}A_{1}$) state vibrational frequencies derived from ``hot” band intensity will be compared with literature infrared assignments. Estimates of anharmonicity in several vibrational modes will be presented and discussed.

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$^{1}S$. H. Wollman, J. Chem. Phys. 14, 123 (1946).
Author Institution: Department of Chemistry, University of Cincinnati

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