FAR INFRARED SPECTRA OF RING COMPOUNDS .6. SPECTRUM AND CONFORMATION OF 1,4-CYCLOHEXADIENE
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The absorption spectrum of 1,4-cyclohexadiene vapor in the range 60-250 cm-1 shows only one band, which is of type C with Q-branch peaks of decreasing intensity in the order 107.7, 108.4, 107.0, 106.35, 105.75, 105.2, and 104.7 cm-1. These are assigned to the B2u ring-puckering vibration of a D2h structure having a planar ring. A potential function computed a priori from the torsional and angle-bending potentials appropriate to this vibration gives fairly good quantitative agreement with the observed frequencies. 1971.
JOURNAL OF MOLECULAR SPECTROSCOPY
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