Characterizing Anharmonic Vibrational Modes of Quinones with Two-Dimensional Infrared Spectroscopy
journal contributionposted on 23.07.2015, 00:00 by Jenée D. Cyran, Jacob M. Nite, Amber T. Krummel
Two-dimensional infrared (2D IR) spectroscopy was used to study the vibrational modes of three quinonesbenzoquinone, naphthoquinone, and anthraquinone. The vibrations of interest were in the spectral range of 1560–1710 cm–1, corresponding to the in-plane carbonyl and ring stretching vibrations. Coupling between the vibrational modes is indicated by the cross peaks in the 2D IR spectra. The diagonal and off-diagonal anharmonicities range from 4.6 to 17.4 cm–1 for the quinone series. In addition, there is significant vibrational coupling between the in-plane carbonyl and ring stretching vibrations. The diagonal anharmonicity, off-diagonal anharmonicity, and vibrational coupling constants are reported for benzoquinone, naphthoquinone, and anthraquinone.