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Assignments of the vibrational fundamentals of cis- and trans-1,3,5-hexatriene are reevaluated with new infrared and Raman spectra and with quantum chemical predictions of intensities and anharmonic frequencies. The rotational structure is analyzed in the high-resolution (0.0013–0.0018cm −1 ) infrared spectra of three C-type bands of the trans isomer and two C-type bands of the cis isomer...
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